Penambatan Ulang 4-Hidroksi-tamoxifen Analisis Hasil Penambatan Ulang 4-Hidroksi-tamoxifen

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BAB IV HASIL DAN PEMBAHASAN

A. Penambatan Ulang 4-Hidroksi-tamoxifen

Tahap penambatan ulang 4-hidroksi-tamoxifen ini bertujuan untuk melakukan validasi internal terhadap protokol yang digunakan. Hasil awal yang diperoleh adalah pose hasil penambatan molekul, nilai ChemPLP, dan nilai Tc-PLIF. Hasil awal yang didapatkan diproses lebih lanjut dengan melakukan pengurutan nilai ChemPLP dan Tc-PLIF yang disaring ikatan hidrogen dengan Asp351 maupun yang tidak disaring ikatan hidrogen dengan Asp351. Penyaringan pada interaksi ikatan hidrogen dengan Asp351 dilakukan karena dipercaya mampu meningkatkan kualitas penapisan virtual yang dilakukan Radifar et al., 2013. Hasil akhir yang didapatkan dari tahap ini terbagi menjadi empat bagian: i nilai Tc-PLIF disaring ikatan hidrogen dengan Asp351, ii nilai Tc-PLIF tidak disaring ikatan hidrogen dengan Asp351, iii nilai ChemPLP disaring ikatan hidrogen dengan Asp351, dan iv nilai ChemPLP tidak disaring ikatan hidrogen dengan Asp351 yang masing-masing bagiannya berisi 3000 data.

B. Analisis Hasil Penambatan Ulang 4-Hidroksi-tamoxifen

Analisis hasil yang dilakukan pada tahap ini adalah berupa penghitungan nilai RMSD dari masing-masing bagian yang didapatkan. Perbandingan dilakukan antara pose dengan nilai terbaik dari setiap penambatan terhadap pose dengan nilai terbaik dari setiap bagian pose standar. Hasil nilai RMSD ditampilkan pada Tabel I, II, III, dan IV. Tabel I. Nilai RMSD 4-hidroksi-tamoxifen dari Tc-PLIF yang disaring ikatan hidrogen dengan Asp351 No. Rep1 Å Rep2 Å Rep3 Å 1 1,827 1,726 1,263 2 5,293 1,426 1,446 3 1,639 1,183 1,149 4 1,71 1,726 1,263 5 1,174 1,426 1,446 6 1,487 1,183 1,149 7 1,705 1,644 1,592 8 1,875 1,218 1,133 9 1,977 1,423 1,768 10 1,178 0,912 1,471 11 1,596 5,363 1,458 12 1,662 1,358 1,547 13 1,596 1,742 1,731 14 1,14 1,419 1,591 15 1,891 1,656 1,808 16 1,395 1,464 1,438 17 2,027 1,146 1,452 18 1,448 1,452 5,42 19 0,808 1,79 1,681 20 1,679 1,187 1,691 21 1,147 5,306 0,797 22 1,182 1,586 1,441 23 1,155 5,204 1,626 24 1,215 1,387 1,281 25 1,896 1,139 1,16 26 5,446 1,153 1,597 27 5,422 0,814 5,362 28 1,536 1,638 5,418 29 0,757 1,409 1,445 30 1,139 1,316 1,435 31 1,491 1,486 0,789 No. Rep1 Å Rep2 Å Rep3 Å 32 1,232 1,226 1,169 33 1,141 1,421 1,14 34 1,165 1,979 0,741 35 1,431 1,705 1,706 36 1,074 1,18 1,231 37 1,709 1,439 1,141 38 1,076 1,126 1,704 39 1,596 1,642 1,183 40 1,155 1,06 1,439 41 1,828 1,591 1,817 42 0,63 1,857 1,076 43 0,813 0,873 1,429 44 0,749 1,692 1,072 45 1,377 1,139 1,668 46 1,807 1,323 1,878 47 1,861 5,402 1,52 48 0,749 1,511 1,596 49 1,825 1,653 1,655 50 1,827 1,591 1,384 51 5,42 1,142 1,45 52 1,439 5,436 1,18 53 1,919 1,701 1,423 54 5,446 1,54 0,789 55 1,579 1,155 1,588 56 5,401 2,031 0,817 57 1,579 1,467 0,71 58 1,143 5,439 1,745 59 1,817 0,989 0,855 60 1,434 1,146 1,572 61 5,442 1,295 5,451 62 1,914 1,107 1,163 No. Rep1 Å Rep2 Å Rep3 Å 63 1,471 1,811 5,44 64 1,764 1,704 1,178 65 1,489 0,802 5,401 66 1,433 5,412 1,862 67 1,909 1,696 1,572 68 0,853 1,788 1,128 69 0,784 0,87 1,422 70 1,954 0,904 1,144 71 1,415 1,792 1,145 72 1,788 1,563 1,672 73 1,479 5,392 1,38 74 1,526 1,199 1,914 75 1,671 1,629 1,486 76 1,436 1,81 1,271 77 1,436 1,119 1,14 78 1,188 1,147 1,42 79 1,373 1,483 1,897 80 0,794 1,17 1,147 81 1,828 1,384 1,178 82 1,129 1,641 1,896 83 1,718 5,387 1,525 84 5,358 1,438 1,447 85 0,784 1,834 1,61 86 1,65 1,591 1,601 87 1,138 1,906 1,135 88 5,333 1,662 1,663 89 1,138 1,456 1,382 90 1,404 1,695 0,86 91 1,493 5,396 5,313 92 1,136 1,189 5,416 93 1,187 1,151 1,551 No. Rep1 Å Rep2 Å Rep3 Å 94 1,525 1,851 1,837 95 0,789 1,828 1,728 96 1,519 5,447 1,38 97 1,412 1,587 1,436 98 1,124 1,578 1,48 99 1,695 1,16 1,139 100 1,264 1,195 1,906 101 5,292 1,444 1,146 102 5,385 1,629 2,018 103 1,875 0,783 1,765 104 1,887 1,81 1,462 105 1,128 1,767 1,926 106 1,43 1,111 1,607 107 1,412 1,141 1,143 108 1,227 1,17 1,655 109 1,844 1,185 1,91 110 0,677 1,449 1,424 111 1,631 1,471 1,676 112 1,172 1,469 1,168 113 1,625 5,27 1,14 114 1,967 1,836 1,137 115 1,15 1,818 1,697 116 1,594 1,141 0,816 117 1,405 1,148 1,453 118 1,141 0,733 0,767 119 1,695 1,154 5,237 120 0,96 2,021 5,448 121 1,46 1,911 1,461 122 1,454 1,142 1,652 123 1,819 1,331 1,44 124 0,947 1,139 5,372 125 1,596 1,14 1,142 126 1,203 1,079 1,107 127 1,329 1,415 1,496 128 1,852 1,706 1,679 129 1,449 1,141 1,655 130 1,685 1,726 1,127 131 1,449 1,439 1,471 132 1,707 1,802 1,144 133 5,415 1,163 1,15 No. Rep1 Å Rep2 Å Rep3 Å 134 1,729 1,129 1,475 135 0,865 1,159 1,963 136 1,821 1,13 0,658 137 5,434 1,142 1,147 138 1,847 1,831 1,61 139 1,954 1,141 1,632 140 1,154 1,46 1,438 141 1,746 1,149 1,698 142 1,082 1,915 1,758 143 1,565 1,914 1,447 144 1,974 1,944 0,781 145 1,758 0,798 1,964 146 0,876 1,137 1,912 147 1,439 1,145 1,779 148 0,754 1,346 1,164 149 0,762 1,827 0,811 150 1,533 1,14 1,438 151 1,616 5,367 1,754 152 1,883 1,75 1,598 153 1,137 1,139 1,565 154 1,942 1,617 1,6 155 1,613 0,8 1,164 156 1,146 1,422 1,161 157 1,437 1,642 1,122 158 1,48 1,819 1,16 159 1,14 1,152 1,72 160 1,592 5,41 1,451 161 1,61 1,14 1,18 162 1,451 1,443 1,155 163 1,439 1,7 1,174 164 1,138 1,119 1,44 165 1,476 1,64 5,362 166 1,458 1,42 1,471 167 1,166 1,659 1,767 168 1,18 5,445 1,145 169 1,515 1,908 1,678 170 1,422 1,081 1,716 171 1,711 1,439 1,423 172 1,397 1,169 1,186 173 1,435 1,702 1,789 No. Rep1 Å Rep2 Å Rep3 Å 174 1,238 5,357 5,417 175 1,44 1,438 1,147 176 1,138 1,908 1,867 177 5,348 1,56 5,448 178 1,125 1,661 0,639 179 1,081 1,709 1,747 180 1,838 1,902 1,14 181 1,607 1,652 1,144 182 1,397 1,148 1,426 183 1,596 5,425 0,656 184 1,146 1,882 1,418 185 1,18 1,166 1,597 186 1,225 1,404 1,695 187 1,114 1,441 1,233 188 1,407 1,823 1,123 189 1,497 1,587 1,581 190 1,44 1,439 1,143 191 1,852 1,448 1,727 192 1,899 1,895 1,981 193 1,463 1,898 1,823 194 1,429 1,439 1,601 195 1,322 1,918 1,441 196 1,142 5,478 1,136 197 1,341 1,144 1,594 198 2,05 0,823 1,688 199 1,148 1,179 5,413 200 1,696 1,505 1,138 201 1,439 1,425 1,135 202 1,44 1,97 1,431 203 1,145 1,419 1,376 204 5,426 1,691 1,997 205 1,144 1,927 1,595 206 1,19 1,437 1,187 207 1,271 2,007 1,831 208 1,849 1,722 1,437 209 1,421 1,713 1,147 210 1,424 1,467 1,549 211 1,875 1,477 1,475 212 1,586 1,156 1,369 213 1,146 1,6 1,461 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 214 1,758 1,914 1,427 215 2,006 1,196 1,135 216 1,859 1,046 1,44 217 1,356 1,16 5,406 218 1,166 1,146 1,388 219 1,68 0,87 1,664 220 1,143 1,184 1,084 221 5,409 0,584 1,596 222 1,689 1,174 1,14 223 1,638 1,432 1,899 224 1,941 0,782 1,139 225 1,33 1,149 1,593 226 5,211 1,136 1,816 227 1,138 1,142 2,086 228 1,145 1,166 2,08 229 1,507 1,804 1,198 230 1,437 5,454 1,617 231 1,585 1,422 1,435 232 1,702 1,144 1,592 233 5,354 1,915 1,932 234 1,645 1,821 1,44 235 1,72 1,47 1,472 236 1,815 1,558 1,778 237 1,487 5,266 1,622 238 1,614 5,41 1,137 239 1,139 1,326 1,052 240 1,588 1,605 0,751 241 1,422 0,798 5,271 242 5,414 1,21 1,808 243 1,731 1,788 0,859 244 1,14 1,437 1,609 245 1,435 1,428 1,141 246 1,656 1,891 1,438 247 1,057 0,762 1,454 248 1,148 0,718 1,707 249 1,144 1,689 5,311 250 1,819 1,911 1,179 251 5,4 0,796 1,808 252 1,425 1,541 1,15 253 1,731 1,508 1,713 No. Rep1 Å Rep2 Å Rep3 Å 254 1,183 1,142 1,72 255 1,441 1,27 1,691 256 1,608 1,729 1,672 257 1,773 2,033 5,369 258 0,793 1,689 0,88 259 1,198 1,188 1,473 260 1,4 1,17 1,428 261 1,595 1,438 1,144 262 2,011 1,139 1,65 263 1,915 0,943 1,528 264 5,347 5,444 1,14 265 1,842 1,413 1,218 266 1,146 1,598 1,609 267 1,308 1,175 0,983 268 1,801 1,15 1,485 269 1,68 1,371 1,41 270 1,614 1,147 1,427 271 1,224 1,807 0,878 272 1,921 1,589 1,808 273 1,177 0,802 1,429 274 1,474 1,702 1,711 275 0,671 0,862 1,791 276 1,823 1,143 1,146 277 1,424 1,886 5,328 278 1,139 0,814 1,142 279 1,482 1,618 1,915 280 1,174 1,686 1,301 281 1,808 1,621 1,437 282 1,735 5,325 1,138 283 1,15 5,391 1,594 284 1,133 1,57 1,77 285 1,196 1,477 1,819 286 0,748 1,144 1,913 287 1,694 5,447 1,134 288 1,083 1,143 1,68 289 1,481 1,526 1,122 290 2,051 1,644 1,537 291 1,594 5,405 1,356 292 1,691 1,072 1,741 293 1,607 5,195 1,816 No. Rep1 Å Rep2 Å Rep3 Å 294 1,46 1,651 1,783 295 1,29 1,921 1,394 296 1,442 1,146 1,438 297 1,908 1,164 1,141 298 1,81 1,872 1,145 299 1,306 1,629 1,341 300 1,148 1,687 1,103 301 1,219 1,415 5,42 302 1,766 1,134 1,342 303 1,586 1,146 1,167 304 1,548 1,642 1,644 305 1,141 1,468 5,356 306 5,432 5,46 1,589 307 1,594 1,151 1,909 308 1,447 1,813 5,398 309 1,139 1,441 0,805 310 1,506 1,445 1,595 311 1,593 1,694 5,406 312 0,804 1,415 1,409 313 1,824 1,141 1,423 314 1,132 1,416 1,516 315 1,414 1,907 1,861 316 1,832 1,178 1,442 317 1,662 1,192 1,432 318 1,169 1,429 1,321 319 1,692 1,93 1,359 320 0,788 0,801 1,448 321 1,124 1,141 1,486 322 1,818 1,135 1,636 323 1,44 1,638 1,599 324 5,436 1,916 1,144 325 1,144 1,44 1,157 326 5,428 2,055 1,884 327 0,792 1,69 5,251 328 1,142 1,795 1,821 329 1,62 1,963 1,678 330 1,183 1,766 1,892 331 0,765 1,898 1,73 332 1,921 1,419 1,711 333 1,485 1,42 1,506 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 334 5,4 1,137 1,604 335 1,434 1,816 1,197 336 1,86 1,465 1,436 337 1,419 1,44 1,909 338 1,147 1,138 1,167 339 1,529 1,573 1,169 340 1,147 1,138 5,372 341 1,164 1,439 1,457 342 1,665 1,127 5,264 343 1,971 5,408 1,753 344 1,561 1,437 1,479 345 1,989 1,476 1,424 346 1,391 1,188 1,456 347 1,334 1,47 1,595 348 1,883 1,78 1,439 349 1,087 1,139 1,163 350 1,146 1,478 1,908 351 1,171 1,7 1,14 352 1,9 1,545 0,717 353 1,906 1,594 1,153 354 1,628 1,81 1,436 355 0,982 1,14 5,461 356 1,619 5,439 1,169 357 1,143 1,166 1,569 358 1,591 5,417 1,951 359 1,911 1,467 1,443 360 1,438 1,506 0,813 361 1,704 1,467 1,589 362 1,591 1,672 1,63 363 1,128 1,579 1,412 364 0,794 1,692 1,435 365 1,566 1,811 1,139 366 1,439 1,145 1,144 367 1,135 1,354 1,657 368 1,377 1,607 0,837 369 1,76 1,822 1,837 370 1,809 1,144 1,437 371 1,142 1,412 1,604 372 1,146 1,679 1,667 373 1,84 1,797 1,326 No. Rep1 Å Rep2 Å Rep3 Å 374 1,611 1,44 1,491 375 1,933 1,295 1,178 376 1,791 5,419 1,669 377 5,388 1,99 1,899 378 1,151 1,777 1,471 379 1,188 1,742 5,405 380 1,926 5,453 1,122 381 1,915 1,484 1,406 382 1,144 1,141 1,175 383 1,375 1,467 0,581 384 5,422 2,015 1,595 385 1,592 1,981 1,911 386 1,727 5,344 1,466 387 1,085 1,808 1,169 388 1,741 1,14 1,154 389 1,891 1,129 1,708 390 1,457 1,552 1,722 391 1,884 1,167 1,898 392 0,81 1,871 1,475 393 0,823 1,144 1,902 394 1,171 0,782 1,434 395 5,427 1,617 1,439 396 5,406 1,971 1,461 397 1,434 1,141 1,399 398 1,139 1,163 5,324 399 1,656 1,674 1,112 400 1,829 1,682 5,394 401 1,235 1,689 1,181 402 1,745 5,412 1,744 403 1,098 1,807 2,051 404 5,46 1,759 1,439 405 1,156 1,392 1,93 406 1,444 0,795 1,424 407 1,148 1,435 1,776 408 1,698 1,381 1,522 409 1,453 1,112 1,388 410 1,135 1,748 1,438 411 0,81 1,461 1,078 412 1,454 1,562 1,15 413 1,437 1,846 0,757 No. Rep1 Å Rep2 Å Rep3 Å 414 5,42 5,404 1,14 415 1,479 1,599 1,143 416 0,676 1,727 1,143 417 5,392 1,168 1,426 418 0,809 2,029 1,594 419 1,125 1,397 1,515 420 1,666 1,764 5,418 421 1,146 1,698 1,164 422 1,14 1,932 1,14 423 1,781 1,366 5,404 424 1,382 1,442 1,596 425 1,837 1,614 0,86 426 1,217 1,507 1,579 427 1,487 1,656 1,261 428 5,3 1,61 1,365 429 1,138 5,427 1,573 430 1,136 1,276 1,448 431 5,459 1,772 1,235 432 1,438 1,68 0,782 433 1,138 1,29 1,686 434 0,755 1,18 0,735 435 1,794 2,006 1,807 436 0,757 1,733 1,909 437 1,143 1,282 1,158 438 1,24 1,168 2,098 439 1,15 1,619 1,908 440 0,851 1,148 5,442 441 1,429 0,839 1,172 442 1,472 1,454 1,593 443 1,135 1,874 1,884 444 1,596 1,565 1,32 445 1,437 0,652 2,02 446 1,695 1,809 1,145 447 1,75 1,76 1,137 448 0,725 1,291 1,153 449 1,146 1,937 1,929 450 1,542 1,185 1,506 451 1,418 1,179 1,659 452 1,695 1,384 1,417 453 1,43 1,605 1,705 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 454 1,145 1,441 1,137 455 0,778 1,231 1,705 456 5,408 1,081 1,382 457 1,473 1,142 1,14 458 1,437 1,456 1,142 459 1,862 1,458 5,39 460 1,169 1,145 1,59 461 1,575 5,461 5,399 462 1,718 1,464 1,143 463 1,64 1,435 1,315 464 0,794 1,705 1,103 465 1,908 1,907 2,123 466 1,195 1,748 1,243 467 1,427 1,535 0,825 468 1,455 1,699 1,142 469 1,988 0,786 1,437 470 1,115 1,587 1,446 471 1,441 1,418 1,138 472 1,447 1,135 1,144 473 1,441 2,038 1,808 474 1,957 2,065 1,858 475 1,139 1,314 2,039 476 1,735 1,474 1,18 477 1,675 1,678 1,145 478 1,606 1,18 1,394 479 1,479 1,294 1,606 480 1,393 1,652 1,615 481 1,44 1,719 0,863 482 1,142 1,955 1,543 483 1,705 1,906 1,7 484 1,703 1,504 1,454 485 1,151 1,14 1,149 486 1,458 5,405 1,421 487 1,275 0,807 1,606 488 1,744 1,704 5,369 489 1,442 1,434 1,141 490 1,687 5,423 1,515 491 1,877 1,439 1,581 492 1,476 1,183 0,889 493 1,147 1,14 1,819 No. Rep1 Å Rep2 Å Rep3 Å 494 1,71 1,241 1,652 495 1,442 1,694 1,694 496 1,854 1,824 5,381 497 1,279 1,293 1,694 498 5,391 1,14 1,696 499 1,136 1,556 1,457 500 2,012 0,774 1,137 501 1,153 5,43 1,855 502 1,156 1,18 1,905 503 1,913 1,825 1,899 504 1,63 1,134 1,69 505 1,479 1,702 1,715 506 5,417 5,444 1,144 507 1,137 1,62 1,825 508 1,433 1,674 1,151 509 1,434 0,793 1,451 510 1,14 1,14 1,882 511 5,436 1,709 1,607 512 1,138 2,014 1,374 513 1,441 0,952 1,141 514 1,907 1,796 1,71 515 1,44 1,424 0,729 516 1,894 1,705 1,174 517 5,352 1,9 1,644 518 1,282 1,432 1,702 519 1,935 1,144 1,59 520 1,83 1,275 1,471 521 5,443 1,903 1,803 522 1,459 1,769 1,148 523 1,551 1,47 1,144 524 1,6 1,695 2,017 525 1,152 1,743 1,88 526 1,849 1,757 1,722 527 1,591 1,387 1,131 528 1,135 0,779 1,186 529 1,572 1,248 1,426 530 1,697 1,984 1,72 531 1,148 1,454 1,928 532 1,321 1,817 1,452 533 1,637 1,437 1,967 No. Rep1 Å Rep2 Å Rep3 Å 534 1,156 1,968 1,669 535 1,464 1,156 1,435 536 1,729 5,332 1,765 537 1,88 1,154 1,891 538 1,156 1,151 1,141 539 1,275 1,159 1,577 540 1,478 1,54 1,144 541 1,939 1,609 0,749 542 1,473 1,785 1,142 543 5,265 1,45 1,148 544 5,384 1,64 1,125 545 5,433 2,065 1,574 546 1,805 1,456 1,424 547 0,732 1,736 1,466 548 1,123 1,301 1,447 549 1,604 1,433 1,624 550 1,608 1,146 1,204 551 1,956 5,464 1,39 552 1,661 1,914 1,437 553 1,146 1,443 0,786 554 1,335 1,428 1,458 555 1,442 2,011 1,32 556 2,033 0,595 1,483 557 1,411 1,454 1,696 558 1,431 1,146 1,518 559 1,152 1,816 1,444 560 1,591 1,159 1,36 561 1,504 1,679 1,907 562 1,592 1,887 1,689 563 1,591 1,457 1,472 564 1,144 1,716 1,75 565 1,168 1,685 1,146 566 0,847 1,179 1,423 567 1,767 1,247 1,139 568 1,066 1,202 1,911 569 1,141 1,148 1,148 570 1,703 1,469 1,149 571 1,163 1,151 1,444 572 1,134 1,592 0,782 573 1,804 1,567 1,515 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 574 0,794 1,383 5,444 575 1,554 5,417 1,698 576 1,593 1,819 1,37 577 0,697 1,59 1,453 578 1,524 1,934 1,592 579 1,143 1,119 1,474 580 0,754 1,331 0,724 581 5,43 1,815 1,91 582 1,152 1,942 1,187 583 1,857 1,149 1,373 584 0,778 1,748 0,79 585 1,743 1,259 1,446 586 1,431 1,799 1,121 587 1,457 2,086 1,542 588 5,415 1,438 1,902 589 1,455 1,883 1,519 590 1,688 1,438 1,147 591 1,137 1,648 0,747 592 5,415 1,225 1,388 593 1,14 1,709 1,429 594 1,118 1,364 1,205 595 1,153 1,831 1,219 596 2,077 0,766 5,353 597 0,763 1,15 1,144 598 1,884 1,756 1,895 599 1,808 1,891 1,769 600 1,565 1,693 1,725 601 1,187 1,818 5,424 602 1,899 1,697 1,141 603 1,708 1,119 1,144 604 0,805 1,568 1,432 605 1,72 1,146 0,799 606 1,873 1,481 1,456 607 5,424 1,611 1,593 608 1,148 0,631 0,79 609 1,133 1,064 1,142 610 1,138 1,128 1,49 611 1,44 1,384 1,6 612 1,133 1,144 1,437 613 1,692 1,7 1,142 No. Rep1 Å Rep2 Å Rep3 Å 614 1,907 1,697 1,651 615 1,686 1,73 1,774 616 1,479 1,727 1,592 617 1,925 1,875 0,77 618 1,421 5,417 1,077 619 0,81 1,424 1,599 620 1,573 1,221 1,653 621 1,81 1,523 1,702 622 5,441 5,425 1,444 623 1,672 1,283 2,009 624 1,66 1,612 5,307 625 1,628 5,377 5,421 626 1,324 5,458 1,337 627 1,756 1,44 1,44 628 1,472 1,266 1,189 629 1,882 5,405 5,461 630 1,16 1,418 5,454 631 1,166 1,34 1,651 632 1,144 1,104 1,121 633 1,953 5,392 1,135 634 1,223 0,795 0,914 635 1,342 1,123 1,329 636 1,32 1,129 1,169 637 1,773 1,829 1,643 638 1,883 1,803 1,478 639 1,146 1,807 1,421 640 1,598 0,722 1,808 641 1,489 1,776 1,863 642 1,169 1,146 1,695 643 1,663 1,72 1,628 644 1,511 1,871 1,86 645 1,592 1,502 1,061 646 0,81 0,983 1,636 647 1,915 1,138 1,997 648 1,913 5,423 1,809 649 1,138 0,961 1,92 650 0,756 1,592 1,814 651 1,464 5,42 1,432 652 1,436 1,593 1,138 653 1,433 1,443 1,449 No. Rep1 Å Rep2 Å Rep3 Å 654 1,595 1,436 1,788 655 1,189 1,174 1,141 656 1,489 1,591 1,129 657 1,624 1,347 1,615 658 1,44 0,793 1,232 659 1,143 1,143 1,653 660 5,386 1,693 1,189 661 1,189 1,737 1,892 662 1,656 1,884 1,14 663 1,184 1,827 1,144 664 0,774 1,687 1,42 665 1,838 1,729 1,904 666 1,589 1,805 1,844 667 1,136 5,36 1,143 668 1,271 1,459 1,14 669 1,438 5,266 5,427 670 1,134 0,783 1,652 671 1,496 1,129 1,144 672 1,689 1,726 1,648 673 1,298 1,505 1,139 674 1,463 1,621 0,773 675 1,135 1,899 1,699 676 1,217 1,957 1,799 677 1,633 1,687 1,178 678 1,868 1,138 1,124 679 1,139 1,126 1,534 680 1,453 5,429 1,155 681 1,483 1,142 1,242 682 1,59 1,145 0,745 683 1,621 1,144 0,811 684 1,146 1,851 1,904 685 1,37 1,147 1,83 686 1,233 1,139 1,44 687 1,613 1,543 1,181 688 1,421 1,901 1,209 689 1,815 1,484 1,414 690 5,423 1,141 1,37 691 1,692 0,763 1,726 692 1,608 1,224 1,411 693 1,156 5,241 5,394 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 694 1,588 5,406 0,799 695 5,422 1,12 1,806 696 1,763 1,31 1,808 697 5,409 1,148 1,46 698 1,156 1,777 1,81 699 0,666 1,749 1,595 700 1,877 1,87 1,109 701 1,881 1,411 1,457 702 0,76 1,48 1,273 703 1,477 1,362 1,666 704 1,138 1,145 1,732 705 1,192 1,144 1,541 706 5,285 1,999 1,482 707 1,874 1,396 1,755 708 1,101 1,359 5,409 709 5,415 1,143 1,143 710 1,143 1,414 1,177 711 0,727 1,433 1,139 712 1,448 1,679 1,438 713 1,184 1,447 1,126 714 1,42 1,658 1,813 715 1,44 5,288 1,686 716 1,149 0,797 5,402 717 5,429 0,79 1,649 718 1,492 1,7 1,923 719 1,098 1,937 1,426 720 1,684 1,919 1,139 721 1,756 1,105 1,38 722 1,149 0,783 1,237 723 1,17 1,522 1,126 724 1,428 1,486 1,674 725 5,391 1,711 1,671 726 1,673 1,432 1,131 727 1,904 1,537 0,786 728 0,789 1,168 1,138 729 5,403 1,631 1,571 730 1,151 1,14 1,436 731 0,8 1,518 1,689 732 5,37 1,803 1,178 733 1,157 1,833 1,141 No. Rep1 Å Rep2 Å Rep3 Å 734 1,477 1,182 1,809 735 1,661 1,152 1,299 736 1,436 1,045 1,083 737 1,352 5,406 1,998 738 1,151 0,742 1,147 739 1,182 1,151 1,562 740 1,362 1,046 1,163 741 1,804 1,831 5,332 742 1,148 1,15 1,698 743 0,889 1,475 1,425 744 1,144 1,229 1,562 745 1,829 1,88 1,439 746 1,933 5,444 1,665 747 1,479 1,789 1,933 748 1,171 1,821 5,422 749 1,141 1,885 1,706 750 1,551 0,817 1,425 751 1,44 1,806 1,102 752 1,231 0,739 1,449 753 1,451 1,682 5,453 754 1,639 1,594 5,455 755 1,509 1,14 1,122 756 1,813 0,762 1,718 757 1,573 1,661 1,456 758 5,397 1,448 1,592 759 1,429 1,183 1,135 760 1,438 1,424 1,42 761 5,42 1,144 1,442 762 1,326 1,819 1,689 763 1,147 1,14 1,143 764 1,165 0,732 1,641 765 1,464 1,139 1,439 766 1,716 1,657 1,354 767 1,95 1,9 1,437 768 1,933 0,788 1,432 769 5,426 1,154 1,429 770 1,14 1,146 5,421 771 1,134 1,746 1,415 772 1,439 1,807 1,928 773 1,136 1,436 1,823 No. Rep1 Å Rep2 Å Rep3 Å 774 5,276 5,429 1,15 775 1,464 1,749 1,295 776 1,462 1,184 1,532 777 1,652 1,144 1,142 778 1,197 1,439 1,119 779 1,673 1,555 1,245 780 1,445 1,473 1,155 781 1,436 1,456 1,421 782 1,911 1,009 1,727 783 5,381 1,174 1,751 784 1,44 1,179 1,138 785 5,42 1,03 1,145 786 1,439 1,174 1,745 787 1,145 1,616 1,913 788 0,739 1,432 1,424 789 1,137 1,702 1,816 790 1,767 1,262 1,142 791 1,385 1,765 1,168 792 1,12 1,438 1,461 793 1,362 1,652 1,145 794 1,947 1,415 1,524 795 1,19 1,446 1,679 796 1,145 1,744 1,767 797 1,691 1,654 1,232 798 1,68 1,586 1,129 799 1,5 1,467 1,19 800 5,426 1,074 1,493 801 1,808 1,137 1,156 802 5,468 1,794 1,39 803 1,478 1,67 1,717 804 1,441 1,483 1,263 805 1,393 5,417 0,814 806 1,62 1,638 1,7 807 1,693 1,907 1,203 808 1,167 1,945 1,154 809 1,737 1,713 0,719 810 1,721 1,147 1,178 811 1,662 1,262 1,48 812 2,03 0,727 1,569 813 1,137 1,114 1,38 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 814 1,144 1,202 1,268 815 1,428 1,925 1,6 816 2,116 1,292 1,403 817 1,864 0,792 1,807 818 1,146 1,408 1,795 819 1,579 1,167 1,135 820 0,758 0,826 1,454 821 1,692 1,438 1,215 822 1,434 1,147 5,44 823 1,269 1,594 1,172 824 1,108 1,597 5,42 825 1,141 1,902 1,535 826 5,471 5,416 1,727 827 1,151 1,987 1,826 828 1,057 1,14 1,67 829 1,144 1,901 1,564 830 5,32 0,788 1,516 831 1,484 1,444 1,147 832 1,621 5,265 1,203 833 1,595 1,496 1,47 834 1,773 0,751 1,598 835 1,628 0,829 1,594 836 1,142 1,403 1,77 837 1,721 2,035 1,916 838 1,719 0,841 1,15 839 1,138 1,426 1,38 840 1,124 1,122 1,706 841 1,51 1,791 0,884 842 0,761 1,464 1,179 843 1,143 1,741 1,229 844 1,141 1,094 1,631 845 1,144 0,799 1,438 846 0,743 1,147 1,588 847 1,13 1,142 0,981 848 1,172 1,457 1,74 849 0,882 1,145 5,424 850 5,392 1,755 1,69 851 1,444 1,078 5,401 852 1,242 0,71 1,979 853 1,667 1,217 1,537 No. Rep1 Å Rep2 Å Rep3 Å 854 1,416 1,521 1,424 855 1,143 1,706 1,795 856 1,647 1,84 1,558 857 0,759 1,64 1,811 858 1,438 1,179 1,441 859 1,386 1,849 5,434 860 1,137 2,033 5,352 861 1,904 0,748 1,46 862 0,75 5,422 1,397 863 5,405 1,144 1,143 864 1,457 1,445 1,332 865 0,624 1,178 1,813 866 1,516 1,709 1,137 867 1,485 1,193 1,367 868 1,144 1,426 1,874 869 1,59 1,666 1,95 870 1,146 1,437 1,493 871 1,143 1,641 1,487 872 1,42 1,755 1,475 873 5,377 1,995 1,289 874 1,153 1,143 1,399 875 5,413 1,287 0,782 876 1,148 1,599 1,074 877 1,8 1,66 1,659 878 1,47 1,438 1,183 879 1,18 1,361 1,455 880 1,694 5,303 1,701 881 1,451 1,602 1,76 882 1,387 1,408 1,171 883 1,2 5,405 1,181 884 1,917 1,695 1,135 885 0,781 1,751 1,144 886 1,145 1,922 1,141 887 1,796 1,438 1,157 888 1,142 1,855 1,149 889 1,241 1,437 1,435 890 0,75 1,682 1,67 891 1,261 1,81 1,532 892 5,315 1,777 1,776 893 5,415 1,139 1,441 No. Rep1 Å Rep2 Å Rep3 Å 894 1,52 1,147 1,49 895 1,549 1,821 1,584 896 1,43 1,435 1,148 897 1,149 1,186 0,793 898 1,919 1,167 1,725 899 1,589 1,144 1,395 900 0,785 0,799 1,437 901 1,141 1,921 1,515 902 1,108 1,153 1,768 903 1,858 1,672 1,237 904 1,667 1,15 1,557 905 1,603 1,551 1,253 906 1,972 2,107 1,523 907 5,464 1,098 1,462 908 1,175 5,384 1,879 909 1,697 1,502 1,389 910 1,655 1,6 1,879 911 1,323 1,148 1,459 912 1,928 1,82 0,714 913 1,457 1,458 1,793 914 1,13 1,217 1,442 915 1,309 1,898 1,437 916 5,434 1,805 1,723 917 1,807 5,403 1,102 918 1,869 1,141 1,113 919 1,681 1,433 0,781 920 1,474 0,766 1,466 921 1,824 1,493 1,384 922 1,91 1,809 1,145 923 1,664 0,68 1,161 924 1,44 5,41 1,139 925 1,439 1,558 1,318 926 1,441 1,17 5,409 927 1,565 1,592 0,776 928 1,757 1,818 1,744 929 5,416 1,683 1,548 930 1,591 5,444 1,147 931 1,677 1,581 1,437 932 0,963 1,459 1,485 933 1,428 1,171 1,913 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 934 1,578 1,438 1,658 935 1,142 1,292 1,463 936 1,439 1,141 1,394 937 1,298 1,703 1,816 938 1,142 1,141 1,14 939 1,137 1,447 1,899 940 1,401 1,335 1,376 941 1,528 1,903 1,145 942 1,553 1,52 1,308 943 1,08 5,442 1,171 944 1,668 1,702 1,476 945 1,6 1,45 1,746 946 1,133 1,845 5,248 947 0,773 1,526 1,698 948 1,183 1,437 1,185 949 1,685 1,811 1,911 950 1,809 5,401 1,697 951 1,431 1,656 1,7 952 1,502 1,44 0,808 953 1,759 0,783 1,573 954 1,447 1,138 1,439 955 1,385 1,591 1,495 956 1,417 1,683 1,527 No. Rep1 Å Rep2 Å Rep3 Å 957 1,165 1,329 5,426 958 1,178 1,461 5,449 959 1,699 1,312 1,805 960 1,661 1,157 1,913 961 1,144 1,443 1,708 962 1,157 5,432 1,542 963 5,38 1,896 1,707 964 1,66 1,417 1,168 965 1,823 1,097 1,678 966 1,217 1,751 1,658 967 1,441 1,149 1,509 968 1,938 1,599 1,728 969 1,588 5,436 1,486 970 1,129 1,823 1,454 971 1,641 1,186 1,089 972 1,135 1,146 1,975 973 1,808 1,894 1,486 974 1,608 1,138 5,42 975 1,683 0,739 1,52 976 1,837 1,188 1,164 977 1,452 1,438 5,357 978 0,797 1,818 1,796 979 0,639 1,087 1,439 No. Rep1 Å Rep2 Å Rep3 Å 980 1,972 1,612 1,697 981 1,697 1,648 1,595 982 1,38 1,851 5,328 983 1,314 1,662 1,142 984 1,861 0,867 1,644 985 1,71 1,594 1,23 986 1,127 1,379 1,599 987 1,755 1,431 1,139 988 5,419 1,439 1,55 989 2,001 1,145 1,912 990 0,657 1,205 1,385 991 1,932 1,141 1,585 992 1,804 1,684 1,623 993 0,811 1,134 0,758 994 1,099 1,141 5,411 995 0,709 1,118 1,724 996 0,761 1,407 1,58 997 1,136 5,431 0,673 998 1,122 1,438 1,923 999 1,894 5,454 5,311 1000 1,529 1,926 1,759 RMSD 2 Å 91 90,3 92 Tabel II. Nilai RMSD 4-hidroksi-tamoxifen dari Tc-PLIF yang tidak disaring ikatan hidrogen dengan Asp351 No. Rep1 Å Rep2 Å Rep3 Å 1 1,664 1,093 1,635 2 1,863 1,587 1,537 3 1,761 1,629 1,149 4 1,71 1,644 1,592 5 1,174 0,957 1,189 6 1,487 1,423 1,85 7 1,565 1,161 1,845 8 1,875 1,906 1,458 9 1,732 1,358 1,571 10 1,846 1,332 1,014 No. Rep1 Å Rep2 Å Rep3 Å 11 1,22 1,419 1,87 12 1,662 1,79 1,552 13 1,993 1,464 1,438 14 1,543 1,654 1,762 15 1,644 1,452 1,845 16 5,434 1,79 1,681 17 1,683 1,685 1,691 18 1,448 1,849 0,797 19 1,56 1,586 1,701 20 1,351 1,851 1,859 No. Rep1 Å Rep2 Å Rep3 Å 21 1,431 1,764 1,281 22 2,014 1,139 1,135 23 1,823 1,917 1,872 24 2,041 0,814 1,808 25 1,896 1,638 5,418 26 5,446 1,409 1,445 27 2,069 1,573 1,686 28 1,534 1,646 1,836 29 1,636 1,226 1,904 30 1,139 1,668 1,14 Tabel I. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 31 1,761 1,979 0,741 32 1,106 1,962 1,224 33 0,962 1,18 2,031 34 2,04 1,556 1,141 35 1,104 1,828 1,99 36 1,074 1,602 0,827 37 1,709 1,605 1,439 38 1,014 1,846 1,615 39 1,723 1,857 1,01 40 1,155 1,444 1,429 41 1,828 1,692 1,821 42 0,63 1,287 1,668 43 0,813 1,846 1,878 44 0,749 1,613 1,41 45 1,584 1,511 1,708 46 1,807 1,653 1,243 47 1,024 1,981 1,384 48 0,749 1,142 1,45 49 1,812 1,677 1,18 50 1,827 1,701 1,423 51 2,044 1,385 0,789 52 1,439 1,546 1,871 53 1,919 1,141 1,151 54 1,664 1,467 1,724 55 1,849 1,84 1,131 56 1,427 0,989 0,855 57 1,579 1,146 1,868 58 1,143 1,656 1,474 59 0,8 1,795 1,953 60 1,434 1,78 5,44 61 1,789 1,889 1,473 62 1,914 1,106 1,146 63 1,471 2,024 1,886 64 2,106 1,696 1,231 65 1,489 1,289 1,966 66 1,312 1,458 1,422 67 1,909 0,904 1,144 68 1,437 1,792 1,077 69 0,706 1,518 1,672 70 1,869 1,801 1,38 No. Rep1 Å Rep2 Å Rep3 Å 71 1,819 5,451 1,675 72 1,788 1,873 1,486 73 2,026 1,826 1,271 74 1,63 1,119 1,607 75 1,332 1,708 1,104 76 1,436 1,483 1,897 77 1,436 1,17 1,147 78 1,188 1,876 1,178 79 1,472 1,641 1,896 80 1,573 1,758 1,525 81 0,933 1,897 1,361 82 1,894 1,834 1,61 83 1,708 1,877 1,458 84 1,198 1,906 1,365 85 1,651 1,662 1,839 86 1,37 1,456 1,87 87 1,487 2,041 1,254 88 1,711 1,852 1,126 89 2,039 1,189 5,416 90 1,404 1,151 1,719 91 1,493 1,835 1,577 92 1,136 1,803 1,527 93 1,187 1,885 2,037 94 1,525 1,199 1,909 95 2,011 1,016 1,48 96 1,519 1,922 1,616 97 1,647 1,882 1,885 98 1,124 1,56 1,146 99 1,695 0,694 1,943 100 0,994 0,783 1,765 101 2,024 1,81 1,599 102 5,385 1,767 1,926 103 1,875 1,795 1,958 104 1,499 1,661 1,045 105 1,722 1,17 1,655 106 1,43 1,185 1,91 107 1,41 1,257 1,892 108 0,96 1,471 1,414 109 1,844 1,469 1,857 110 5,219 5,27 1,682 No. Rep1 Å Rep2 Å Rep3 Å 111 1,872 1,398 1,751 112 1,172 2,072 1,727 113 1,625 1,141 1,6 114 1,967 1,148 1,453 115 1,15 1,635 1,433 116 1,41 1,887 5,237 117 1,698 1,122 1,952 118 1,294 1,856 1,461 119 1,676 1,222 1,652 120 1,331 1,331 1,824 121 1,755 1,139 2,066 122 2,01 1,14 1,288 123 2,076 1,079 1,107 124 0,947 2,08 1,496 125 1,875 1,216 1,723 126 1,203 1,327 1,655 127 0,845 1,726 1,452 128 1,852 1,043 1,66 129 1,449 1,46 1,144 130 1,685 1,202 1,48 131 1,449 1,129 1,623 132 1,707 1,159 1,366 133 5,415 1,13 1,548 134 0,84 1,142 1,147 135 0,865 1,331 1,61 136 1,821 1,141 1,858 137 1,37 1,483 1,699 138 2,029 0,937 1,137 139 1,452 1,527 1,564 140 1,154 1,914 2,05 141 1,746 1,944 0,781 142 1,082 1,348 1,964 143 1,565 1,137 1,652 144 1,974 1,145 1,779 145 2,089 1,299 1,164 146 2,014 1,882 1,41 147 2,046 1,14 0,835 148 1,44 1,797 1,754 149 0,762 1,413 1,9 150 2,054 1,726 1,73 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 151 1,345 1,617 1,309 152 1,883 0,8 1,164 153 1,137 1,358 2,032 154 1,331 1,376 1,635 155 2,088 1,196 1,906 156 1,146 1,152 1,896 157 1,816 1,802 1,191 158 1,48 1,445 1,18 159 1,14 1,443 1,155 160 1,602 1,684 1,174 161 1,825 1,595 1,824 162 1,821 1,64 5,362 163 1,206 1,42 1,473 164 1,774 1,495 1,767 165 5,406 1,751 1,27 166 5,394 1,908 1,567 167 1,166 1,836 1,716 168 1,18 1,808 1,423 169 0,698 1,169 1,616 170 1,422 1,702 1,789 171 1,683 1,397 5,417 172 1,487 1,438 1,688 173 1,881 1,908 1,867 174 1,238 1,6 1,564 175 1,143 1,661 2,06 176 1,718 1,709 1,747 177 1,956 1,902 1,14 178 1,125 1,834 1,665 179 1,272 1,384 1,426 180 2,049 5,425 1,784 181 1,866 1,882 1,21 182 2,064 1,166 1,827 183 1,322 1,404 1,891 184 1,146 1,441 1,272 185 2,044 1,72 1,123 186 1,664 1,437 1,581 187 1,114 1,816 1,143 188 1,86 2,097 1,18 189 1,497 1,259 0,632 190 0,938 1,898 1,632 No. Rep1 Å Rep2 Å Rep3 Å 191 1,85 1,439 1,644 192 1,531 1,918 1,876 193 1,463 1,849 1,668 194 1,429 1,144 5,262 195 1,572 0,823 1,688 196 1,142 1,877 1,602 197 1,537 1,323 1,437 198 1,9 1,557 1,444 199 1,905 1,506 1,431 200 1,891 1,16 1,721 201 1,576 1,691 1,997 202 2,024 5,452 1,664 203 0,94 1,437 1,187 204 1,973 1,36 1,831 205 0,816 1,299 1,437 206 1,19 1,18 1,833 207 1,728 1,467 1,526 208 1,211 1,68 1,475 209 1,856 1,935 1,606 210 1,253 5,409 1,858 211 1,875 1,266 2,049 212 1,196 1,196 1,135 213 1,146 1,689 1,617 214 1,886 1,16 1,326 215 1,626 1,146 1,513 216 2,033 1,862 1,872 217 2,013 1,184 1,762 218 1,359 0,584 1,743 219 1,701 1,174 1,742 220 1,143 1,878 1,899 221 1,378 0,782 1,479 222 1,689 1,661 1,662 223 1,638 1,283 1,816 224 1,941 1,142 1,86 225 0,841 1,808 1,709 226 1,447 5,418 1,198 227 1,138 1,711 1,617 228 1,142 1,422 1,864 229 1,691 1,124 1,592 230 1,631 1,652 1,932 No. Rep1 Å Rep2 Å Rep3 Å 231 2 1,652 1,509 232 1,702 2,059 1,159 233 5,354 1,851 2,103 234 1,657 5,266 1,846 235 1,005 5,41 1,137 236 1,815 1,326 1,643 237 1,487 0,892 0,751 238 1,441 1,223 1,556 239 1,139 1,763 1,668 240 1,637 1,413 1,898 241 1,051 1,847 1,609 242 1,989 1,428 1,141 243 1,731 1,891 1,828 244 1,63 0,961 1,454 245 1,435 0,718 1,707 246 1,603 1,847 1,213 247 1,057 1,911 1,56 248 1,148 1,559 1,808 249 1,262 1,857 1,143 250 1,525 1,864 1,641 251 1,148 1,208 1,899 252 1,425 1,149 1,691 253 1,695 1,385 1,738 254 1,259 1,421 1,225 255 1,198 1,942 0,88 256 1,874 1,494 1,473 257 1,647 1,17 1,208 258 1,616 1,669 1,837 259 1,198 1,717 1,647 260 1,259 0,943 1,528 261 2,006 5,444 1,891 262 2,011 1,413 1,218 263 1,915 1,372 1,641 264 5,347 1,175 0,983 265 1,842 1,15 1,767 266 1,146 1,371 1,853 267 1,741 1,147 1,262 268 1,801 2,072 0,878 269 1,68 1,893 2,076 270 1,456 2,064 1,429 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 271 1,883 1,81 1,23 272 1,921 1,87 1,379 273 1,402 1,143 1,146 274 1,619 1,701 1,073 275 1,798 1,807 1,142 276 1,753 1,618 1,915 277 1,186 1,686 0,912 278 1,666 1,621 2,059 279 1,353 1,91 1,138 280 1,174 1,639 2,083 281 1,292 1,568 1,861 282 1,616 1,477 1,608 283 1,15 1,144 1,913 284 1,707 2,031 1,134 285 1,808 1,642 1,68 286 1,84 2,059 1,871 287 1,694 1,877 1,893 288 1,83 2,043 1,842 289 1,481 1,072 1,741 290 1,304 1,868 1,816 291 1,383 5,257 1,759 292 1,691 1,921 1,304 293 0,885 1,146 1,886 294 1,688 1,41 1,169 295 1,29 1,852 1,145 296 1,442 1,629 1,244 297 1,394 1,687 1,103 298 1,81 1,147 5,42 299 1,415 1,134 1,342 300 1,148 1,146 1,167 301 1,878 1,872 1,621 302 1,534 1,468 1,273 303 1,885 2,06 1,289 304 1,865 1,151 1,909 305 1,141 1,189 1,762 306 5,432 1,441 0,805 307 1,502 2,053 1,301 308 1,822 1,603 1,756 309 1,866 1,161 1,409 310 1,647 2,014 1,572 No. Rep1 Å Rep2 Å Rep3 Å 311 1,951 1,416 1,608 312 0,804 1,907 1,861 313 2,038 0,993 1,579 314 1,595 1,192 1,432 315 1,452 1,664 0,915 316 1,669 1,547 2,043 317 0,669 0,76 1,049 318 1,651 1,141 2,02 319 1,797 1,135 1,936 320 0,788 1,237 1,595 321 1,796 1,916 1,144 322 1,756 1,534 1,461 323 2,046 1,835 1,747 324 5,436 1,69 1,376 325 1,144 1,795 1,584 326 5,428 1,177 1,678 327 0,792 1,766 1,892 328 1,142 1,898 0,917 329 1,633 1,234 1,236 330 1,463 2,041 1,61 331 1,181 1,137 5,466 332 1,749 1,445 1,307 333 1,141 1,243 1,99 334 1,762 1,843 2,12 335 1,434 1,731 1,167 336 1,86 1,882 1,169 337 1,419 1,783 1,613 338 1,147 1,886 1,457 339 1,529 1,127 5,264 340 1,147 1,447 1,956 341 1,554 1,143 1,878 342 1,665 1,476 1,424 343 1,837 1,98 1,456 344 1,586 1,47 1,782 345 1,989 1,864 1,905 346 1,164 0,833 1,163 347 2,058 1,478 1,446 348 1,62 1,315 1,14 349 1,637 1,545 0,717 350 1,146 1,594 1,153 No. Rep1 Å Rep2 Å Rep3 Å 351 1,171 1,81 1,436 352 1,9 1,14 1,877 353 1,906 5,439 1,366 354 0,999 1,47 1,919 355 1,811 5,417 1,951 356 1,259 1,574 1,86 357 0,94 1,034 1,499 358 1,521 1,613 1,151 359 1,472 2,081 1,687 360 1,438 1,828 1,567 361 1,704 1,247 1,634 362 1,6 1,333 1,465 363 1,891 1,145 1,144 364 0,794 1,354 1,244 365 5,501 1,771 1,52 366 1,439 1,247 1,309 367 1,135 1,144 2,036 368 2,035 2,032 1,658 369 1,652 1,679 1,667 370 1,602 1,679 1,475 371 1,142 1,493 1,837 372 1,146 1,84 1,178 373 1,84 1,794 2,093 374 2,037 1,443 1,899 375 1,933 5,323 0,761 376 1,207 1,662 2,064 377 1,745 1,835 1,122 378 1,151 1,122 1,888 379 1,834 1,141 1,175 380 1,926 1,467 1,847 381 1,915 2,015 1,536 382 1,144 1,858 2,02 383 1,375 1,847 1,466 384 5,422 1,808 1,169 385 1,604 1,14 1,662 386 1,727 1,049 1,786 387 1,085 1,552 1,654 388 1,515 1,167 1,898 389 1,421 1,24 1,475 390 1,457 1,144 1,902 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 391 1,884 1,135 1,434 392 0,81 1,785 1,238 393 0,823 1,971 1,461 394 1,171 1,421 1,488 395 2,062 1,163 5,262 396 2,062 1,857 1,112 397 1,434 1,882 1,683 398 1,564 1,689 1,181 399 1,617 1,455 1,744 400 1,703 1,545 2,051 401 1,235 1,637 1,837 402 1,745 1,565 1,868 403 1,098 0,795 1,579 404 5,46 1,881 1,776 405 1,637 1,748 1,522 406 1,444 1,112 1,388 407 1,148 1,748 2,036 408 1,698 1,889 1,078 409 1,976 1,839 1,15 410 1,135 1,241 1,252 411 1,412 1,257 1,713 412 1,666 1,687 1,631 413 1,063 2,079 1,143 414 1,84 1,168 1,88 415 1,479 2,029 1,724 416 1,842 2,047 1,9 417 1,594 1,572 5,418 418 0,809 1,322 1,164 419 1,389 1,932 1,612 420 2,068 1,151 2,075 421 1,146 1,442 1,484 422 1,569 1,525 1,384 423 1,114 1,144 2,046 424 1,382 1,872 2,063 425 2,059 1,61 1,365 426 1,863 5,427 0,711 427 1,487 1,465 1,448 428 5,3 1,677 1,235 429 1,683 1,68 0,743 430 1,136 1,29 1,686 No. Rep1 Å Rep2 Å Rep3 Å 431 5,459 1,18 0,735 432 1,864 2,006 2,072 433 1,159 1,582 2,069 434 0,755 1,18 1,488 435 5,445 1,168 1,681 436 1,689 1,65 1,39 437 1,089 1,148 1,598 438 1,481 1,724 1,689 439 1,15 1,454 0,946 440 0,851 1,874 1,884 441 2,076 1,264 1,515 442 1,58 1,808 1,844 443 1,135 1,273 1,145 444 1,709 2,058 1,844 445 2,01 1,291 2,036 446 1,695 1,937 1,185 447 1,75 5,339 1,611 448 1,883 1,676 2,062 449 1,146 1,384 1,417 450 1,542 1,585 0,727 451 2,022 1,719 1,88 452 5,342 1,987 1,101 453 1,43 1,081 1,382 454 1,39 1,142 1,14 455 1,13 1,527 1,142 456 2,076 1,872 1,225 457 1,473 1,145 1,59 458 1,862 2,018 0,848 459 1,862 1,715 1,409 460 1,169 1,435 1,315 461 1,166 1,705 1,103 462 1,718 1,907 0,926 463 1,64 1,748 1,243 464 0,794 1,283 1,874 465 1,908 1,699 1,13 466 1,195 0,786 1,437 467 1,427 1,283 1,942 468 1,936 1,418 1,805 469 1,872 1,621 1,144 470 1,101 2,019 1,519 No. Rep1 Å Rep2 Å Rep3 Å 471 1,879 1,567 1,465 472 1,447 1,655 5,337 473 1,441 1,474 1,18 474 1,957 1,678 1,145 475 1,428 1,59 1,394 476 1,735 1,312 1,83 477 1,675 1,165 1,137 478 1,907 1,681 1,564 479 1,479 1,955 1,772 480 1,952 1,906 1,7 481 1,838 1,06 1,556 482 0,914 1,22 1,625 483 2,022 5,341 1,107 484 1,152 1,152 1,679 485 1,151 1,582 1,937 486 1,458 1,434 1,685 487 1,874 5,423 1,398 488 1,176 1,439 1,159 489 1,326 1,183 1,672 490 1,641 1,323 1,102 491 1,877 1,59 1,652 492 1,476 1,889 1,436 493 1,856 1,927 1,296 494 1,71 2,037 1,655 495 1,442 1,14 1,453 496 2,038 1,296 1,457 497 1,279 0,846 0,71 498 1,294 0,731 1,855 499 1,136 2,057 1,905 500 2,012 1,373 1,899 501 1,878 1,134 1,69 502 1,785 1,702 1,896 503 1,913 1,585 1,144 504 1,63 2,077 1,271 505 1,257 1,674 1,461 506 5,417 0,675 1,184 507 1,486 1,14 1,855 508 1,433 1,709 1,787 509 1,054 1,682 2,03 510 1,14 0,952 1,141 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 511 1,875 1,872 1,352 512 1,138 1,575 0,729 513 1,441 1,705 1,321 514 1,907 1,748 2,061 515 1,489 1,729 1,702 516 1,628 1,144 5,268 517 5,352 1,643 1,746 518 1,178 1,903 1,535 519 1,935 1,769 1,148 520 1,687 1,47 1,443 521 2,046 1,349 2,017 522 1,459 1,154 1,88 523 1,814 1,489 1,632 524 1,894 1,804 1,131 525 1,152 1,688 1,371 526 1,275 2,073 1,426 527 1,638 1,518 1,996 528 1,63 1,697 1,928 529 2,047 1,653 1,452 530 1,697 0,862 1,444 531 1,148 1,264 5,274 532 1,263 1,156 1,811 533 1,895 2,038 1,765 534 0,593 1,704 1,891 535 1,464 1,151 1,141 536 1,698 1,159 1,898 537 1,388 1,687 1,664 538 1,156 1,609 1,488 539 1,533 1,785 1,142 540 1,819 2,075 1,148 541 1,939 1,525 1,125 542 1,473 1,85 1,867 543 5,265 1,456 1,421 544 5,384 1,836 1,466 545 1,393 1,924 1,697 546 1,721 2,043 1,624 547 0,732 1,665 1,844 548 1,123 1,885 1,988 549 1,281 1,159 1,154 550 1,828 1,443 0,786 No. Rep1 Å Rep2 Å Rep3 Å 551 1,956 1,534 1,816 552 1,661 2,011 1,596 553 1,674 1,53 1,895 554 1,72 1,835 1,991 555 1,646 1,146 1,882 556 2,033 1,71 1,444 557 1,411 1,549 1,36 558 2,023 1,679 1,241 559 1,152 1,867 1,696 560 1,082 1,733 1,568 561 1,504 1,716 1,75 562 1,469 5,437 1,704 563 1,63 1,179 1,328 564 1,144 1,247 1,571 565 1,863 1,395 1,911 566 1,614 1,636 1,764 567 1,638 2,081 1,495 568 1,875 1,151 1,208 569 1,141 0,692 1,048 570 1,703 1,596 1,515 571 1,163 1,383 2,06 572 2,057 1,781 1,698 573 2,02 1,674 1,551 574 0,794 1,464 1,453 575 1,554 1,934 0,874 576 1,633 2,005 1,632 577 0,697 2,047 1,453 578 1,369 1,592 1,362 579 1,007 2,066 1,187 580 1,755 1,149 1,373 581 1,877 1,748 0,79 582 1,434 1,165 2,057 583 1,857 1,757 1,789 584 0,778 1,857 1,542 585 1,743 2,028 1,902 586 1,431 1,604 1,519 587 1,457 1,438 1,165 588 1,852 1,648 0,871 589 1,455 1,683 2,041 590 1,688 0,837 1,429 No. Rep1 Å Rep2 Å Rep3 Å 591 2,049 1,364 1,205 592 1,806 1,831 1,8 593 1,14 1,659 1,862 594 1,834 0,868 1,844 595 1,214 1,756 1,432 596 1,864 1,583 1,546 597 1,294 1,693 1,725 598 1,445 1,993 1,624 599 1,551 1,697 1,141 600 1,565 1,545 1,144 601 1,493 1,609 1,432 602 1,899 1,146 1,838 603 1,708 1,677 1,604 604 0,805 1,611 5,423 605 1,386 2,059 0,79 606 1,203 1,405 1,541 607 5,424 1,868 1,507 608 1,148 1,384 1,887 609 1,684 1,144 1,852 610 1,801 1,605 1,441 611 1,693 1,697 1,651 612 2,061 1,73 1,774 613 1,692 1,281 5,367 614 1,907 1,875 0,77 615 1,686 5,417 1,077 616 1,393 1,424 1,993 617 1,347 1,355 1,654 618 1,845 1,886 1,702 619 1,288 2,071 1,444 620 1,665 1,153 1,482 621 1,603 1,823 0,731 622 5,441 1,878 5,421 623 2,052 1,885 1,863 624 1,66 1,912 1,503 625 1,628 1,907 1,189 626 1,413 1,267 1,835 627 1,264 0,948 1,92 628 1,38 1,734 1,437 629 1,405 1,855 0,747 630 1,16 1,999 1,135 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 631 1,919 0,795 1,646 632 1,167 1,123 1,329 633 1,953 2,089 1,169 634 1,631 1,725 2,055 635 1,342 1,866 1,478 636 1,938 1,763 1,908 637 1,773 1,275 1,633 638 1,883 1,637 1,613 639 1,658 1,865 1,617 640 1,818 1,667 1,628 641 1,489 1,233 1,86 642 1,169 1,874 1,871 643 1,441 1,443 1,636 644 5,345 1,138 1,997 645 1,236 5,423 1,649 646 0,709 0,961 1,92 647 1,401 1,503 1,039 648 1,878 2,054 1,432 649 1,649 5,375 2,025 650 0,756 1,443 2,033 651 1,464 1,436 2,045 652 1,436 1,659 1,896 653 1,886 1,763 1,129 654 1,456 1,861 1,639 655 1,831 1,91 1,232 656 1,324 1,461 1,653 657 1,715 5,472 1,189 658 2,021 1,737 1,892 659 1,143 1,401 1,595 660 5,386 0,82 1,144 661 1,189 1,687 1,42 662 1,656 1,729 1,885 663 1,63 1,705 2,04 664 0,774 1,792 1,143 665 1,838 2,007 1,68 666 0,759 5,266 1,544 667 1,136 0,783 1,652 668 1,611 1,922 1,144 669 1,438 1,018 1,561 670 1,134 1,444 1,794 No. Rep1 Å Rep2 Å Rep3 Å 671 1,686 1,621 0,773 672 1,689 1,826 1,699 673 0,864 1,957 1,655 674 1,835 1,692 2,036 675 1,135 1,138 1,124 676 1,008 1,126 1,887 677 1,633 5,429 1,806 678 1,533 1,142 2,039 679 1,664 1,145 0,859 680 1,198 1,919 0,811 681 1,483 1,264 1,087 682 1,597 1,812 1,526 683 1,621 1,139 1,509 684 1,146 1,862 1,181 685 1,37 1,02 1,727 686 1,233 1,484 1,414 687 5,404 1,623 1,37 688 1,368 1,692 1,705 689 1,28 1,705 2,093 690 5,423 1,851 1,864 691 1,622 1,812 1,619 692 1,608 1,763 1,769 693 1,433 1,31 1,519 694 1,832 1,148 1,46 695 5,422 0,994 1,654 696 1,763 1,749 2,015 697 5,409 1,87 1,109 698 1,742 1,634 1,925 699 1,878 1,004 1,822 700 1,812 1,362 1,648 701 1,611 1,145 1,732 702 0,76 2,075 1,541 703 1,454 1,929 1,6 704 2,043 0,849 1,755 705 1,777 1,574 5,409 706 5,285 1,375 5,149 707 1,818 1,819 1,448 708 1,101 1,433 1,892 709 5,415 1,679 1,81 710 1,235 1,447 1,237 No. Rep1 Å Rep2 Å Rep3 Å 711 0,727 1,567 1,582 712 1,865 5,288 1,686 713 1,184 0,797 1,476 714 1,816 1,494 1,945 715 5,485 1,668 1,923 716 1,176 1,937 1,815 717 1,779 1,86 1,635 718 1,492 1,414 1,38 719 1,098 0,783 1,874 720 1,684 1,86 1,658 721 1,856 1,691 1,153 722 1,149 1,671 1,643 723 1,17 1,432 1,131 724 1,407 1,634 0,786 725 5,494 1,671 1,138 726 1,673 1,73 1,244 727 1,904 1,14 1,436 728 0,789 1,518 2,086 729 1,687 1,803 1,178 730 1,47 1,833 1,865 731 0,8 0,859 1,809 732 1,598 1,152 1,5 733 1,573 0,91 1,701 734 1,477 5,406 1,148 735 2,084 1,627 1,65 736 1,841 1,151 1,873 737 1,352 1,223 1,163 738 1,151 1,795 1,828 739 1,182 1,15 1,351 740 1,362 1,642 1,425 741 1,804 1,593 1,898 742 1,148 1,87 1,844 743 1,105 1,896 1,683 744 1,314 1,333 1,447 745 1,77 1,64 1,257 746 1,933 1,885 1,706 747 1,908 1,408 1,425 748 1,445 1,76 1,456 749 1,673 1,19 1,825 750 1,65 1,682 0,76 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 751 1,44 1,596 5,455 752 5,34 1,547 1,919 753 1,451 1,451 1,718 754 1,639 1,724 1,893 755 1,11 1,448 1,798 756 1,882 1,183 1,135 757 1,877 1,643 1,517 758 1,428 0,972 1,219 759 1,429 1,232 1,474 760 0,725 1,14 1,143 761 1,901 1,871 1,878 762 1,687 1,243 1,482 763 1,915 2,046 1,882 764 1,165 1,702 1,552 765 1,856 1,879 2,048 766 1,716 1,154 2,021 767 1,95 1,146 1,432 768 2,051 1,746 1,606 769 5,426 1,814 1,928 770 1,858 1,436 1,632 771 2,027 5,429 1,15 772 1,439 1,916 1,14 773 1,136 1,521 1,504 774 5,276 0,832 1,866 775 1,829 1,88 1,306 776 1,852 1,829 1,658 777 1,865 1,473 0,887 778 1,537 1,126 1,798 779 1,673 1,698 1,727 780 1,445 1,174 0,78 781 1,436 1,179 1,138 782 1,911 1,643 1,914 783 1,687 1,867 1,745 784 1,947 2,043 1,913 785 1,467 1,721 1,424 786 1,361 0,697 1,876 787 1,646 1,861 1,142 788 1,45 1,868 1,265 789 1,454 1,941 2,017 790 1,767 1,767 1,145 No. Rep1 Å Rep2 Å Rep3 Å 791 1,588 1,814 1,524 792 1,874 1,446 1,26 793 1,303 1,817 1,839 794 1,874 1,654 2,034 795 1,19 1,121 1,587 796 1,145 1,467 1,19 797 2,107 1,074 1,652 798 1,834 0,884 1,636 799 1,5 1,781 1,39 800 1,564 1,67 1,717 801 1,503 1,858 0,839 802 5,468 1,507 1,428 803 1,448 1,5 2,017 804 1,843 1,907 1,203 805 1,819 1,756 1,719 806 1,62 1,231 1,867 807 1,817 1,147 1,178 808 1,167 1,45 1,48 809 1,494 1,39 1,863 810 1,721 2,039 1,118 811 0,967 1,202 2,064 812 1,859 1,925 1,391 813 0,837 1,57 1,403 814 1,144 1,906 1,807 815 1,428 1,558 1,795 816 2,116 1,167 1,926 817 1,204 0,826 1,454 818 1,814 1,722 1,229 819 1,579 1,147 5,44 820 1,242 0,836 1,172 821 1,416 1,489 2,012 822 1,373 1,861 1,535 823 1,68 5,416 1,727 824 1,872 1,681 2,061 825 1,809 1,839 1,67 826 5,471 1,12 1,617 827 1,581 0,788 1,333 828 1,057 1,636 1,719 829 1,144 5,265 2,048 830 5,32 1,496 1,47 No. Rep1 Å Rep2 Å Rep3 Å 831 1,3 0,751 1,771 832 1,694 1,59 1,531 833 1,578 1,871 1,77 834 1,773 1,787 1,916 835 1,648 0,841 1,15 836 2,062 2,03 1,741 837 1,721 1,546 1,706 838 1,853 2,05 1,625 839 1,861 1,137 1,666 840 1,298 1,39 1,859 841 1,776 1,094 0,661 842 1,385 0,799 1,438 843 1,666 1,147 1,124 844 1,141 1,142 1,888 845 1,144 1,457 0,972 846 1,416 1,145 1,577 847 1,13 1,703 1,529 848 1,248 1,829 5,401 849 0,882 1,688 1,979 850 1,684 1,217 1,903 851 1,444 2,055 1,748 852 1,781 1,42 1,69 853 1,667 5,433 1,878 854 1,177 1,85 1,648 855 1,419 1,51 1,441 856 1,593 2,045 1,644 857 1,137 0,855 2,07 858 2,005 1,151 1,789 859 2,081 2,068 1,888 860 1,137 1,144 1,441 861 1,904 1,445 1,46 862 1,549 1,178 1,674 863 5,405 2,124 1,812 864 1,905 1,609 1,687 865 1,785 1,426 1,874 866 1,516 1,905 1,582 867 1,485 1,642 1,493 868 1,144 1,641 1,813 869 1,805 1,755 1,719 870 1,146 1,995 1,289 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 871 1,143 1,858 1,83 872 1,42 1,287 0,782 873 1,806 1,762 1,988 874 1,662 1,845 1,639 875 2,023 1,438 1,192 876 1,148 1,361 1,723 877 1,94 5,303 0,747 878 1,284 1,602 1,76 879 1,18 2,043 1,833 880 1,694 5,339 1,181 881 1,762 2,062 1,135 882 2,084 1,71 1,144 883 1,938 1,922 1,141 884 1,917 1,478 1,157 885 1,446 1,855 1,149 886 1,115 1,437 1,435 887 2,042 1,473 1,67 888 1,142 1,454 1,129 889 1,725 0,686 1,776 890 0,75 1,255 1,558 891 1,261 1,349 2,145 892 1,096 1,821 1,584 893 1,629 1,839 1,148 894 0,66 1,186 1,857 895 1,688 1,75 1,725 896 1,178 1,563 1,884 897 1,149 0,799 1,624 898 1,27 1,921 1,502 899 1,747 1,153 1,609 900 1,793 1,672 1,578 901 1,89 1,504 1,09 902 1,108 1,307 1,253 903 1,363 2,058 1,867 904 1,667 1,469 1,884 905 1,87 1,888 1,879 906 0,82 1,216 1,678 907 5,464 1,735 1,879 908 1,175 1,661 1,534 909 1,697 2,017 2,068 910 1,655 1,458 1,647 No. Rep1 Å Rep2 Å Rep3 Å 911 1,714 0,925 1,86 912 0,997 1,898 1,608 913 1,457 2,088 1,723 914 1,13 2,025 1,913 915 1,309 1,141 2,109 916 5,434 2,048 0,781 917 1,134 1,614 2,045 918 1,823 1,89 2,176 919 1,681 2,024 1,751 920 1,587 0,68 2,04 921 1,203 5,41 0,774 922 1,91 1,175 1,318 923 0,682 1,658 5,409 924 1,497 5,286 0,776 925 2,038 1,648 1,638 926 1,492 2,007 1,548 927 1,565 5,444 2,013 928 1,757 1,582 1,696 929 1,01 1,459 1,485 930 1,591 1,171 1,913 931 1,677 1,438 1,658 932 1,391 2,044 1,463 933 1,428 1,479 1,829 934 1,839 1,412 1,531 935 1,873 1,452 1,14 936 1,272 2,106 0,688 937 1,298 1,335 1,376 938 1,405 1,903 1,145 939 1,137 1,161 1,186 940 1,622 5,442 1,171 941 2 1,702 1,476 942 1,846 1,45 1,291 943 1,627 1,281 5,248 944 1,668 1,882 1,698 945 1,881 1,437 1,698 946 2,069 1,519 1,918 947 1,452 1,307 1,915 948 1,446 1,656 1,7 949 2,074 1,147 0,916 950 1,809 1,176 1,519 No. Rep1 Å Rep2 Å Rep3 Å 951 1,431 1,138 1,439 952 1,502 1,63 1,495 953 2,068 1,683 1,591 954 1,616 2,032 5,426 955 1,861 1,461 1,466 956 2,067 1,539 0,988 957 1,165 2,092 1,257 958 1,178 1,41 1,708 959 1,633 1,468 1,542 960 1,211 1,896 1,883 961 1,144 1,417 1,168 962 2,026 1,4 1,678 963 1,827 1,751 1,658 964 1,438 1,633 1,451 965 1,513 2,069 2,077 966 1,559 1,924 1,486 967 1,473 1,823 1,169 968 1,57 1,186 1,089 969 2,082 1,146 1,975 970 1,717 1,894 1,858 971 1,641 1,945 1,138 972 1,993 2,067 5,346 973 1,808 1,188 1,832 974 2,102 1,438 1,647 975 1,683 1,818 1,276 976 1,837 1,853 1,439 977 1,846 1,916 1,799 978 1,551 1,582 1,294 979 0,639 1,851 1,951 980 1,2 1,662 2,069 981 1,697 1,902 1,872 982 1,38 1,594 2,033 983 1,314 1,379 1,49 984 1,861 1,431 1,139 985 1,595 1,144 1,65 986 0,753 1,145 1,909 987 0,779 1,205 5,515 988 2,082 1,462 1,585 989 2,001 1,684 1,677 990 0,657 1,461 0,758 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 991 1,932 1,141 0,853 992 1,682 1,868 1,864 993 1,517 1,908 1,318 994 1,099 5,431 0,673 No. Rep1 Å Rep2 Å Rep3 Å 995 0,709 1,852 1,248 996 2,013 1,749 5,311 997 1,136 1,926 1,818 998 1,122 1,834 5,472 No. Rep1 Å Rep2 Å Rep3 Å 999 1,894 1,898 1,05 1000 1,529 1,902 1,854 RMSD 2 Å 88,1 89,5 90,7 Tabel III. Nilai RMSD 4-hidroksi-tamoxifen dari ChemPLP yang disaring ikatan hidrogen dengan Asp351 No. Rep1 Å Rep2 Å Rep3 Å 1 1,818 1,829 1,594 2 1,822 1,598 1,602 3 1,438 1,809 1,592 4 1,81 1,807 1,633 5 1,807 1,812 1,572 6 1,809 1,594 1,419 7 1,806 1,593 1,831 8 1,596 1,593 1,806 9 1,806 1,591 1,592 10 1,592 1,815 1,813 11 1,596 1,823 1,618 12 1,108 1,829 1,808 13 1,596 1,809 1,807 14 1,115 1,589 1,811 15 1,803 1,802 1,815 16 1,822 1,805 1,804 17 1,812 1,806 1,816 18 1,605 1,61 1,811 19 1,825 1,599 1,805 20 1,665 1,813 1,596 21 1,841 1,112 1,811 22 1,836 1,593 1,731 23 1,597 1,828 1,597 24 1,818 1,817 1,592 25 1,591 1,815 1,593 26 1,823 1,815 1,804 27 1,825 1,585 1,591 28 1,42 1,589 1,804 29 1,828 1,827 1,803 No. Rep1 Å Rep2 Å Rep3 Å 30 1,111 1,828 1,76 31 1,815 1,595 1,592 32 1,815 1,591 1,812 33 1,822 1,828 1,827 34 1,821 1,811 1,623 35 1,812 1,596 1,829 36 1,074 1,597 0,964 37 1,404 1,808 1,428 38 1,587 1,591 1,817 39 1,596 1,614 1,076 40 1,6 1,607 1,591 41 1,837 1,807 1,811 42 1,409 1,812 1,819 43 1,111 1,827 1,593 44 1,419 1,807 1,613 45 1,821 1,812 1,596 46 1,818 1,603 1,821 47 1,845 1,591 1,384 48 1,602 1,813 1,332 49 1,607 1,595 1,18 50 1,824 1,823 1,118 51 1,817 1,819 1,811 52 1,819 1,805 1,811 53 1,602 1,61 1,59 54 1,818 1,607 1,818 55 1,59 1,59 1,824 56 1,804 1,591 1,592 57 1,593 1,802 1,413 58 1,143 1,828 1,811 No. Rep1 Å Rep2 Å Rep3 Å 59 1,817 1,597 1,625 60 1,58 1,811 1,813 61 1,804 1,62 1,593 62 1,604 1,806 1,818 63 1,594 1,807 1,141 64 1,814 1,838 1,805 65 1,823 1,81 1,591 66 1,604 1,591 1,834 67 1,607 1,603 1,603 68 1,125 1,806 1,816 69 1,601 1,591 1,596 70 1,111 1,824 1,821 71 1,598 1,803 1,81 72 1,809 1,629 1,806 73 1,822 1,81 1,811 74 1,111 1,124 1,591 75 1,82 1,147 1,829 76 1,593 1,811 1,604 77 1,819 1,814 1,597 78 1,595 1,604 1,807 79 1,599 1,111 1,59 80 1,811 1,804 1,137 81 1,828 1,821 0,737 82 1,829 1,809 1,599 83 1,827 1,591 1,601 84 1,593 1,6 1,809 85 0,784 1,82 1,593 86 1,805 1,587 1,592 87 1,588 1,82 1,814 Tabel II. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 88 1,615 1,612 1,594 89 1,595 1,823 1,591 90 1,809 1,601 1,161 91 1,593 1,82 1,837 92 1,596 1,828 1,813 93 1,449 1,594 1,811 94 1,596 1,588 1,589 95 1,838 1,821 1,594 96 1,14 1,595 1,81 97 1,595 1,813 1,603 98 1,818 1,825 1,809 99 1,806 1,805 1,614 100 1,428 1,803 1,811 101 1,818 1,426 1,823 102 1,821 1,827 1,595 103 1,587 1,601 1,607 104 1,597 1,141 1,664 105 1,6 1,431 1,823 106 1,821 1,809 1,599 107 1,813 1,616 1,807 108 1,822 1,138 1,817 109 1,815 1,595 1,586 110 1,146 1,823 1,598 111 1,81 1,808 1,137 112 1,827 1,818 1,831 113 1,617 1,6 1,587 114 1,589 1,82 1,809 115 1,807 1,618 1,139 116 1,594 1,837 1,812 117 1,352 1,597 1,813 118 1,823 1,612 1,146 119 1,403 1,142 0,751 120 1,142 1,596 1,607 121 1,815 1,627 1,822 122 1,611 1,812 1,816 123 1,809 1,598 1,812 124 1,594 1,809 1,59 125 1,594 1,594 1,812 126 1,594 1,599 1,823 127 1,813 1,819 1,144 No. Rep1 Å Rep2 Å Rep3 Å 128 1,6 1,829 1,806 129 1,807 1,802 1,357 130 1,83 1,593 1,809 131 1,822 1,826 1,138 132 1,802 1,404 1,801 133 1,806 1,822 1,577 134 1,818 1,589 1,404 135 1,84 1,814 1,567 136 1,821 1,803 1,827 137 1,595 1,602 1,817 138 1,815 1,597 1,603 139 1,426 1,592 1,824 140 0,807 1,597 1,815 141 1,818 1,601 1,598 142 1,594 1,432 1,59 143 1,804 1,807 1,618 144 1,592 1,824 1,825 145 1,817 1,612 1,812 146 1,149 1,586 1,597 147 1,81 1,824 1,813 148 1,111 0,753 1,117 149 1,63 1,811 1,592 150 1,607 1,808 1,62 151 1,58 1,823 1,6 152 1,592 1,623 1,591 153 1,811 1,816 1,597 154 1,62 1,596 1,596 155 1,589 1,819 1,608 156 1,429 1,117 1,816 157 1,592 1,804 1,816 158 1,828 1,625 1,591 159 1,426 1,617 1,807 160 1,592 1,7 1,81 161 1,61 1,598 1,595 162 1,808 1,813 1,436 163 1,62 1,602 1,601 164 1,809 1,803 1,813 165 1,596 1,591 1,6 166 1,587 1,427 1,818 167 1,425 1,601 1,609 No. Rep1 Å Rep2 Å Rep3 Å 168 1,811 1,593 1,82 169 1,822 1,813 1,602 170 0,753 1,594 1,599 171 1,808 1,595 1,816 172 1,594 1,596 1,823 173 1,808 1,598 1,437 174 1,591 1,56 1,604 175 1,604 1,591 1,594 176 1,593 1,806 1,803 177 1,599 1,591 1,826 178 1,147 1,593 1,599 179 1,806 1,819 1,824 180 1,812 1,824 1,601 181 1,593 1,615 1,602 182 1,595 1,593 1,597 183 1,596 1,433 1,592 184 1,812 1,594 1,603 185 1,805 1,813 1,353 186 1,346 0,738 1,59 187 1,615 1,594 1,6 188 1,126 1,588 1,834 189 1,815 1,598 1,598 190 1,603 1,599 1,813 191 1,595 1,826 1,601 192 1,596 1,83 1,807 193 1,819 1,593 1,588 194 1,826 1,627 1,594 195 1,805 1,139 1,816 196 1,615 1,571 1,596 197 1,827 1,839 1,602 198 1,81 1,809 1,82 199 1,615 1,591 1,813 200 1,818 1,592 1,108 201 1,588 1,837 1,607 202 1,808 1,595 1,823 203 1,809 1,613 1,601 204 1,592 1,592 1,824 205 1,593 0,719 1,814 206 1,606 1,59 1,595 207 1,81 1,599 1,597 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 208 1,814 1,83 1,592 209 1,138 1,596 1,429 210 1,806 1,6 1,805 211 1,59 1,593 1,802 212 1,59 1,809 1,591 213 1,819 1,608 1,814 214 1,815 1,43 1,829 215 1,595 1,829 1,811 216 1,608 1,816 1,623 217 1,82 1,597 1,589 218 1,591 1,824 1,596 219 1,434 1,824 1,803 220 1,811 1,814 1,594 221 1,826 1,137 1,139 222 1,812 1,826 1,593 223 1,593 1,83 1,814 224 1,591 1,807 1,337 225 1,811 1,806 1,806 226 1,822 1,804 1,81 227 1,593 1,823 1,816 228 1,825 1,804 1,592 229 1,113 1,805 1,836 230 1,815 1,814 1,609 231 1,598 1,821 1,807 232 1,818 1,808 1,815 233 1,597 1,596 1,591 234 1,59 1,815 1,824 235 1,812 1,818 1,81 236 1,353 1,818 1,823 237 1,824 1,605 1,825 238 1,834 1,826 1,809 239 1,606 1,597 1,808 240 1,608 1,814 1,158 241 1,1 1,608 1,81 242 1,807 0,727 1,117 243 1,804 1,593 1,805 244 1,607 1,819 1,627 245 1,605 1,628 1,843 246 1,112 1,831 1,818 247 1,125 1,591 1,611 No. Rep1 Å Rep2 Å Rep3 Å 248 1,811 1,6 1,595 249 1,593 1,594 1,621 250 1,819 1,814 1,835 251 1,592 1,344 1,594 252 1,598 1,589 1,805 253 1,811 1,594 1,622 254 1,821 0,742 1,592 255 1,596 1,814 1,136 256 1,608 1,597 1,145 257 1,599 1,82 1,819 258 1,151 1,809 1,605 259 1,593 1,592 1,588 260 1,805 1,817 1,81 261 1,439 1,824 1,817 262 1,593 1,816 1,592 263 1,41 1,598 1,596 264 1,833 1,617 1,824 265 1,594 1,814 1,597 266 1,427 1,619 1,811 267 1,817 0,712 1,791 268 1,828 1,822 1,823 269 1,806 1,602 1,808 270 1,614 1,827 1,814 271 1,589 1,592 1,58 272 1,592 1,812 1,59 273 1,813 1,594 1,598 274 1,812 1,112 1,594 275 1,607 1,117 1,349 276 1,823 1,593 1,604 277 1,424 1,15 1,823 278 1,409 1,593 1,808 279 1,822 1,59 1,594 280 1,602 1,832 1,594 281 1,808 1,808 1,593 282 1,591 1,808 1,351 283 1,588 1,596 1,592 284 1,807 1,824 1,592 285 1,823 1,595 1,804 286 1,619 1,807 1,599 287 1,591 1,587 1,588 No. Rep1 Å Rep2 Å Rep3 Å 288 1,815 1,823 1,812 289 1,804 1,812 1,804 290 1,128 1,812 1,591 291 1,594 1,593 1,591 292 1,831 1,593 1,823 293 1,148 1,819 1,816 294 1,148 1,822 1,604 295 1,805 1,594 1,11 296 1,602 1,117 1,41 297 1,597 1,807 1,596 298 1,809 1,816 1,812 299 1,8 1,599 1,321 300 1,598 1,811 1,816 301 1,607 1,821 1,14 302 1,614 1,833 1,806 303 1,592 1,592 1,589 304 1,129 1,593 1,592 305 1,615 1,313 1,816 306 1,839 1,807 1,591 307 1,594 1,833 1,595 308 1,851 1,805 1,81 309 1,619 1,813 1,111 310 1,59 1,83 1,432 311 1,593 1,58 1,814 312 1,825 1,599 1,603 313 1,808 1,82 1,819 314 1,813 1,825 1,595 315 1,142 1,429 1,827 316 1,447 1,591 1,808 317 1,812 1,598 1,141 318 1,428 1,608 1,594 319 1,824 1,813 1,81 320 1,595 1,602 1,599 321 1,816 1,597 1,618 322 1,818 1,812 1,808 323 1,815 1,592 1,809 324 1,608 1,82 1,15 325 1,592 1,119 1,821 326 1,815 1,595 1,817 327 1,117 1,823 1,595 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 328 1,803 1,592 1,83 329 1,827 1,592 1,823 330 1,595 1,809 1,811 331 1,813 1,599 1,604 332 1,591 0,726 1,827 333 1,814 1,817 1,594 334 1,815 1,809 1,59 335 1,593 1,832 1,117 336 1,595 1,81 1,601 337 1,593 1,608 1,329 338 1,807 1,821 1,813 339 1,601 1,816 1,836 340 1,606 1,814 1,114 341 1,808 1,595 1,807 342 1,813 1,808 1,587 343 1,598 1,601 1,809 344 1,827 1,112 1,591 345 1,605 1,81 1,615 346 1,808 1,112 1,163 347 1,808 1,592 1,599 348 1,804 1,593 1,813 349 1,605 1,82 1,824 350 1,81 1,592 1,823 351 0,724 1,808 1,603 352 1,595 1,6 1,6 353 1,596 1,595 1,362 354 1,424 1,14 1,591 355 1,829 1,83 1,598 356 1,619 1,808 1,11 357 1,589 1,809 1,596 358 1,591 1,809 1,589 359 1,614 1,806 1,591 360 1,806 1,598 1,804 361 1,825 1,594 1,811 362 1,591 1,592 1,817 363 1,824 1,831 1,615 364 1,137 1,318 1,82 365 1,815 1,607 1,6 366 1,355 1,822 1,837 367 1,817 1,806 1,814 No. Rep1 Å Rep2 Å Rep3 Å 368 1,821 1,823 1,594 369 1,593 1,443 1,808 370 1,809 1,802 1,6 371 1,824 1,344 1,591 372 1,12 1,591 1,805 373 1,809 1,601 1,81 374 1,611 1,595 1,622 375 1,591 1,829 1,803 376 1,593 1,832 1,808 377 1,594 1,594 1,597 378 1,121 1,82 1,819 379 1,601 1,406 1,608 380 1,591 1,6 1,822 381 1,59 1,615 1,595 382 1,824 1,578 1,814 383 1,827 1,592 1,137 384 1,801 1,815 1,821 385 1,592 1,838 1,603 386 1,429 1,602 1,811 387 1,599 1,826 1,614 388 1,817 1,805 1,611 389 1,808 1,428 1,137 390 1,592 1,603 1,59 391 1,614 1,119 1,334 392 1,593 1,617 1,595 393 1,805 1,594 1,814 394 1,597 1,807 1,813 395 1,807 1,815 1,805 396 1,593 1,814 1,596 397 1,423 1,604 1,591 398 1,408 1,825 1,598 399 1,803 1,822 1,815 400 1,829 1,807 1,802 401 1,614 1,598 1,836 402 1,603 1,801 1,597 403 1,619 1,816 1,81 404 1,588 1,607 1,818 405 1,59 1,592 1,615 406 1,604 1,619 1,588 407 1,593 1,81 1,599 No. Rep1 Å Rep2 Å Rep3 Å 408 1,139 1,34 1,804 409 1,595 1,821 1,811 410 1,814 1,43 1,598 411 1,596 1,42 1,611 412 1,805 1,825 1,606 413 1,821 1,805 1,118 414 1,824 1,81 1,593 415 1,816 1,592 1,594 416 1,623 1,61 1,117 417 1,594 1,805 1,597 418 1,813 1,804 1,615 419 1,804 1,594 1,596 420 1,113 1,812 1,827 421 1,594 1,807 1,61 422 1,625 1,812 1,602 423 1,597 1,594 1,816 424 1,833 1,601 1,812 425 1,837 1,817 1,809 426 1,598 1,597 1,602 427 1,122 1,6 1,815 428 1,833 1,803 1,823 429 1,593 1,424 1,14 430 1,601 1,116 1,804 431 1,593 1,604 1,611 432 1,829 1,602 1,839 433 1,825 1,816 1,817 434 1,832 1,813 1,822 435 1,818 1,824 1,589 436 0,737 1,61 1,593 437 1,835 1,589 1,597 438 1,803 1,816 1,814 439 1,828 1,603 1,593 440 1,598 1,618 1,592 441 1,594 1,599 1,803 442 1,591 1,809 1,595 443 1,82 1,809 1,816 444 1,596 1,589 1,599 445 1,815 1,805 1,831 446 1,597 1,14 1,59 447 1,597 1,816 1,821 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 448 1,434 1,615 1,807 449 1,839 1,341 1,832 450 1,595 1,636 1,824 451 1,592 0,72 1,44 452 1,592 1,431 1,808 453 1,615 1,598 1,815 454 1,594 1,594 1,574 455 1,59 1,817 1,422 456 1,815 1,824 1,817 457 1,807 1,278 1,59 458 1,599 1,845 1,812 459 1,434 1,831 1,589 460 1,595 1,584 1,815 461 1,81 1,82 1,144 462 1,807 1,593 1,817 463 1,836 1,594 1,591 464 1,831 1,821 1,588 465 1,596 1,807 1,142 466 1,325 1,623 1,81 467 1,82 1,587 1,592 468 1,133 1,831 1,362 469 1,592 1,587 1,11 470 1,597 1,834 1,84 471 1,828 1,422 1,603 472 1,81 1,815 1,589 473 1,825 1,61 1,811 474 1,598 1,809 1,809 475 1,139 1,614 1,602 476 1,827 1,118 1,598 477 1,812 1,592 1,804 478 1,606 1,806 1,153 479 1,824 1,821 1,592 480 1,589 1,602 1,431 481 1,809 1,831 1,815 482 1,83 1,589 1,829 483 1,829 1,806 1,592 484 1,595 1,4 1,606 485 1,818 1,824 1,421 486 1,119 1,624 1,115 487 1,42 1,602 0,75 No. Rep1 Å Rep2 Å Rep3 Å 488 1,596 1,596 1,816 489 1,81 1,833 1,6 490 1,808 1,14 1,819 491 1,592 1,426 1,81 492 1,817 1,595 0,748 493 1,835 1,824 1,605 494 1,595 1,823 1,813 495 1,432 1,59 1,806 496 1,831 1,592 1,425 497 1,819 1,811 1,812 498 1,609 1,807 1,83 499 1,812 1,815 1,866 500 1,591 1,825 1,594 501 1,6 1,823 1,835 502 1,815 1,803 1,43 503 1,622 1,592 1,833 504 1,399 1,62 1,825 505 1,59 1,604 1,604 506 1,592 1,602 1,822 507 1,84 1,813 1,6 508 1,807 1,588 1,607 509 1,619 1,593 1,818 510 1,621 1,594 1,593 511 1,808 1,832 1,808 512 1,11 1,818 1,81 513 1,592 1,807 1,592 514 1,596 1,607 1,593 515 0,708 1,828 1,807 516 1,597 1,594 1,59 517 1,81 1,825 1,593 518 1,618 1,596 1,803 519 1,601 1,812 1,829 520 1,83 1,594 1,595 521 1,823 1,83 1,429 522 1,598 1,816 1,606 523 1,404 1,819 1,753 524 1,6 1,83 1,811 525 1,613 1,836 1,604 526 1,834 1,826 1,596 527 1,591 1,601 1,592 No. Rep1 Å Rep2 Å Rep3 Å 528 1,826 1,592 1,594 529 1,809 1,817 1,118 530 1,814 1,807 1,595 531 1,592 1,599 1,807 532 1,816 1,811 1,808 533 1,604 1,799 1,823 534 1,122 1,817 1,61 535 1,837 1,819 1,422 536 1,809 1,829 1,602 537 1,623 1,816 1,803 538 1,804 1,801 1,81 539 1,808 1,816 1,122 540 1,811 1,813 1,449 541 1,595 1,606 1,591 542 1,596 1,571 1,606 543 1,833 1,596 1,806 544 1,829 1,806 1,606 545 1,597 1,592 1,592 546 1,805 1,813 1,593 547 1,81 1,595 1,613 548 1,843 1,628 1,808 549 1,604 1,595 1,625 550 1,608 1,612 1,808 551 1,594 1,807 1,822 552 1,816 1,589 1,832 553 1,822 1,807 1,615 554 1,297 1,825 1,819 555 1,116 1,83 1,815 556 1,143 1,816 1,596 557 1,817 1,6 1,819 558 1,597 1,82 1,592 559 1,152 1,589 1,817 560 1,591 1,808 1,804 561 1,602 1,816 1,803 562 1,592 1,825 1,593 563 1,136 1,593 1,126 564 1,848 1,811 1,603 565 1,831 1,6 1,593 566 1,118 1,823 1,817 567 1,805 1,597 1,849 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 568 1,592 1,606 1,82 569 1,566 1,604 1,599 570 1,596 1,808 1,612 571 1,591 1,429 1,813 572 1,812 1,601 1,805 573 1,804 1,819 1,805 574 1,59 1,813 1,139 575 1,422 1,637 1,592 576 1,593 1,595 1,14 577 1,81 1,805 1,592 578 1,598 1,811 1,591 579 1,824 1,833 1,594 580 1,325 1,826 1,434 581 1,603 1,813 1,809 582 1,835 1,809 1,809 583 1,836 1,823 1,598 584 1,589 1,818 1,603 585 0,715 1,597 1,614 586 1,822 1,84 1,814 587 1,593 1,589 1,416 588 1,615 1,806 1,108 589 0,753 1,136 1,821 590 1,814 1,596 1,832 591 1,81 1,822 1,606 592 1,821 1,808 1,816 593 1,814 1,819 1,81 594 1,805 0,79 1,809 595 1,811 1,426 1,591 596 1,819 1,599 1,806 597 1,148 1,809 1,598 598 1,591 1,818 1,824 599 1,808 1,822 1,809 600 1,828 1,816 1,834 601 1,581 1,824 1,819 602 1,595 1,603 1,599 603 1,423 1,835 1,595 604 1,823 1,808 1,593 605 1,124 1,8 1,427 606 1,804 1,819 1,118 607 1,821 1,596 1,831 No. Rep1 Å Rep2 Å Rep3 Å 608 1,594 1,826 1,6 609 1,603 1,827 1,832 610 1,833 1,808 1,142 611 1,819 1,814 1,835 612 1,826 1,832 1,136 613 1,807 1,823 1,592 614 1,592 1,598 1,817 615 1,806 1,593 1,587 616 1,823 1,416 1,599 617 1,824 1,598 1,591 618 1,626 1,614 1,812 619 1,606 1,807 1,817 620 1,603 1,806 1,594 621 1,81 0,745 1,143 622 1,813 1,809 1,61 623 1,612 1,591 1,597 624 1,812 1,826 1,595 625 1,812 1,809 1,585 626 1,807 1,831 1,599 627 1,813 1,809 1,826 628 1,595 1,606 1,806 629 1,606 1,597 1,595 630 1,818 1,598 1,821 631 1,821 1,603 1,137 632 1,679 1,814 1,605 633 1,596 1,592 1,817 634 1,591 1,829 1,809 635 1,423 1,803 1,805 636 1,592 1,807 1,433 637 1,816 1,112 1,808 638 1,598 1,817 1,597 639 1,812 1,595 1,609 640 1,598 1,816 1,117 641 1,122 1,821 1,591 642 1,588 1,595 1,597 643 1,606 1,815 1,59 644 1,599 1,83 1,131 645 1,592 1,814 1,809 646 1,594 1,828 1,6 647 1,591 1,592 1,814 No. Rep1 Å Rep2 Å Rep3 Å 648 1,151 1,81 1,808 649 1,827 1,593 1,602 650 1,81 1,599 1,799 651 1,82 1,424 1,845 652 1,608 1,806 1,591 653 1,114 1,591 1,812 654 1,595 1,812 1,596 655 1,592 1,137 1,816 656 1,817 1,596 1,832 657 1,405 1,805 1,597 658 1,807 1,807 1,593 659 1,332 1,582 1,806 660 1,6 1,827 1,815 661 1,59 1,84 1,815 662 1,114 1,81 1,598 663 1,829 1,805 1,813 664 1,817 1,594 1,143 665 1,598 1,596 1,82 666 1,594 1,813 1,82 667 1,816 1,739 1,81 668 1,35 1,594 1,59 669 1,816 1,816 1,598 670 1,134 1,805 1,811 671 1,805 1,8 1,799 672 1,806 1,593 1,827 673 1,815 1,591 1,799 674 1,816 1,826 1,818 675 1,612 1,138 1,812 676 1,814 1,435 1,854 677 1,837 1,592 1,583 678 1,593 1,812 1,593 679 1,593 1,605 1,586 680 1,596 1,594 1,81 681 1,597 1,808 1,595 682 1,59 1,605 1,594 683 1,818 1,824 1,589 684 1,11 1,596 1,114 685 1,608 1,591 1,678 686 1,607 1,592 1,831 687 1,807 1,824 1,603 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 688 1,596 1,815 1,6 689 1,423 1,819 1,597 690 1,822 1,842 1,812 691 1,598 1,594 1,805 692 1,599 1,594 1,806 693 1,592 1,597 0,747 694 1,815 1,807 1,599 695 1,807 1,826 1,807 696 1,615 1,811 1,595 697 1,6 1,327 1,589 698 1,811 1,138 1,819 699 1,827 1,143 1,826 700 1,597 1,616 1,335 701 1,811 1,589 1,817 702 1,596 1,597 1,599 703 1,833 1,589 1,81 704 1,589 1,608 1,827 705 1,826 1,806 1,829 706 1,809 1,592 1,111 707 1,598 1,362 1,82 708 1,809 1,581 1,593 709 1,824 1,344 1,808 710 1,122 1,114 1,615 711 1,111 1,142 1,813 712 1,59 1,808 1,594 713 1,812 1,598 1,816 714 1,591 1,814 1,813 715 1,829 1,605 1,594 716 1,597 1,588 1,808 717 1,823 1,594 1,459 718 1,807 1,111 1,591 719 1,14 1,83 1,806 720 1,804 1,603 1,817 721 1,591 1,349 1,592 722 1,602 1,832 1,316 723 1,599 1,837 1,59 724 1,81 1,67 1,594 725 1,591 1,614 1,592 726 1,834 1,835 1,591 727 1,592 1,817 1,806 No. Rep1 Å Rep2 Å Rep3 Å 728 1,803 1,595 1,816 729 1,603 1,81 1,818 730 1,809 1,433 1,595 731 1,815 1,61 1,427 732 1,799 1,589 1,813 733 1,814 1,821 1,147 734 1,821 1,597 1,145 735 1,806 1,831 1,809 736 1,6 1,632 1,591 737 1,819 1,811 1,584 738 1,824 1,831 1,814 739 1,125 1,609 1,81 740 1,813 1,596 1,827 741 1,805 1,81 1,607 742 1,592 1,424 1,109 743 1,832 1,597 1,595 744 1,593 1,823 1,591 745 1,81 1,821 1,596 746 1,849 0,769 1,817 747 1,597 0,817 1,812 748 1,805 1,806 1,597 749 1,61 1,591 1,591 750 1,594 0,784 1,812 751 1,826 1,594 1,607 752 1,587 1,14 1,598 753 1,594 1,592 1,829 754 1,819 1,805 1,153 755 1,599 1,596 1,67 756 1,813 1,827 1,806 757 1,605 1,435 1,596 758 1,602 1,595 1,594 759 1,591 1,819 1,805 760 1,817 1,823 1,82 761 1,604 1,806 1,802 762 1,135 1,809 1,81 763 1,594 1,816 1,587 764 1,828 1,618 1,808 765 1,595 1,803 1,112 766 1,619 1,825 1,602 767 1,589 1,429 1,597 No. Rep1 Å Rep2 Å Rep3 Å 768 1,817 1,6 1,803 769 1,806 1,807 1,604 770 1,59 1,598 1,809 771 1,815 1,827 1,823 772 1,804 1,826 1,826 773 1,609 1,115 1,127 774 1,589 1,112 1,813 775 1,598 1,809 1,809 776 1,16 1,603 0,739 777 1,819 1,41 1,613 778 1,809 1,591 1,421 779 1,81 1,598 1,589 780 1,624 1,802 1,824 781 1,592 1,424 1,817 782 1,605 1,592 1,583 783 1,817 1,824 1,109 784 1,825 1,826 1,59 785 1,603 1,839 1,594 786 1,83 1,804 1,816 787 1,808 1,586 1,589 788 1,826 1,594 1,592 789 1,158 1,119 1,601 790 1,818 1,808 1,589 791 1,813 1,844 0,712 792 1,601 1,6 1,827 793 1,825 1,811 1,354 794 1,597 1,816 1,4 795 1,814 1,592 1,148 796 1,809 1,604 1,598 797 1,814 1,825 1,602 798 1,628 1,808 1,612 799 1,591 1,141 1,591 800 1,83 1,595 1,806 801 1,808 1,801 1,425 802 1,822 1,807 1,623 803 1,802 1,593 1,812 804 1,81 1,601 1,426 805 1,592 1,808 1,599 806 1,591 1,834 1,597 807 1,814 1,593 1,592 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 808 1,826 1,807 1,595 809 1,608 1,619 1,577 810 1,808 1,593 1,817 811 1,811 1,602 1,822 812 1,495 1,593 1,6 813 1,605 1,814 1,594 814 1,806 1,66 1,818 815 0,728 1,6 1,597 816 1,811 1,821 1,598 817 1,809 1,812 1,806 818 1,809 1,124 1,805 819 1,597 1,593 1,594 820 1,292 1,594 1,815 821 1,6 1,597 1,603 822 1,814 1,601 1,595 823 1,599 1,812 1,816 824 1,609 1,987 1,826 825 1,141 1,59 1,804 826 1,63 1,59 1,601 827 1,812 1,806 1,609 828 1,816 1,806 1,591 829 1,59 1,805 1,598 830 1,59 1,813 1,812 831 1,804 1,142 1,598 832 1,592 1,808 1,594 833 1,595 1,813 1,83 834 1,821 1,594 1,596 835 1,595 1,828 1,595 836 1,81 1,822 1,823 837 1,813 1,808 1,814 838 1,807 1,81 1,588 839 1,813 1,601 1,587 840 1,592 1,418 1,599 841 1,819 1,813 1,596 842 1,833 1,617 1,591 843 1,143 1,599 1,588 844 1,817 0,708 1,818 845 1,828 1,615 1,824 846 1,826 1,809 1,837 847 1,302 1,595 1,811 No. Rep1 Å Rep2 Å Rep3 Å 848 1,618 1,604 1,808 849 1,82 1,425 1,591 850 1,823 1,593 1,576 851 1,829 1,828 1,827 852 1,583 1,807 1,606 853 1,819 1,84 1,804 854 1,418 1,595 1,811 855 1,441 1,81 0,722 856 1,589 1,606 1,594 857 1,815 1,599 1,594 858 1,617 1,839 1,594 859 1,826 1,82 1,826 860 1,657 1,593 1,808 861 1,596 1,815 1,115 862 1,836 1,59 1,813 863 1,818 1,815 1,598 864 1,825 1,143 1,806 865 1,827 1,601 1,592 866 1,817 1,592 1,827 867 1,824 1,591 1,603 868 1,802 1,819 1,596 869 1,59 1,84 1,811 870 1,805 1,596 1,423 871 1,844 1,808 1,596 872 1,598 1,81 1,812 873 1,596 1,605 1,597 874 1,587 1,626 1,809 875 1,811 1,593 0,787 876 1,814 1,817 1,807 877 1,829 1,808 1,813 878 1,828 1,595 1,421 879 1,592 1,819 1,616 880 1,818 1,806 1,599 881 1,818 1,822 1,611 882 1,81 1,601 1,593 883 1,817 1,589 1,614 884 1,597 1,591 1,815 885 1,595 1,825 1,807 886 1,599 1,616 1,582 887 1,81 1,82 1,589 No. Rep1 Å Rep2 Å Rep3 Å 888 1,418 1,81 1,591 889 0,714 1,588 1,814 890 1,115 1,807 1,803 891 1,821 1,591 1,805 892 1,595 1,811 1,811 893 1,62 1,601 1,621 894 1,815 1,613 1,6 895 1,588 1,814 1,816 896 1,117 1,583 1,807 897 1,808 1,827 1,813 898 1,587 1,594 1,119 899 1,589 1,603 1,813 900 1,114 1,808 1,594 901 1,404 1,139 1,152 902 1,831 1,821 1,61 903 1,6 1,834 1,582 904 1,811 1,599 1,805 905 1,603 1,82 1,594 906 1,802 1,592 1,14 907 1,599 1,597 1,6 908 1,822 1,613 1,66 909 1,597 1,82 1,823 910 1,604 1,598 1,617 911 1,811 1,592 1,6 912 1,591 1,829 1,809 913 1,14 1,805 1,603 914 1,608 1,815 1,607 915 1,819 1,61 1,839 916 1,804 1,822 1,593 917 1,807 1,601 1,581 918 1,615 1,805 1,826 919 1,817 1,809 1,594 920 1,808 1,601 1,819 921 1,824 1,826 1,805 922 1,596 1,594 1,802 923 1,813 1,809 1,827 924 1,809 1,592 1,591 925 1,6 1,818 1,813 926 1,594 1,808 1,591 927 1,591 1,591 1,811 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 928 1,616 1,593 1,83 929 1,599 1,591 1,596 930 1,591 1,363 1,594 931 1,593 1,605 1,591 932 1,614 1,807 1,612 933 1,597 1,11 1,62 934 1,804 1,807 1,816 935 1,144 1,141 1,593 936 1,593 1,815 1,598 937 1,604 1,823 1,594 938 1,812 1,593 1,809 939 1,832 1,141 1,593 940 1,809 1,812 1,824 941 1,596 1,819 1,811 942 1,593 1,833 1,806 943 1,593 1,845 1,61 944 1,418 1,607 1,803 945 1,6 1,585 1,589 946 1,803 1,811 1,581 947 1,822 1,814 1,804 948 1,183 1,812 1,813 949 0,737 1,599 1,817 950 0,707 1,41 1,603 No. Rep1 Å Rep2 Å Rep3 Å 951 1,608 1,813 1,809 952 1,59 1,591 1,596 953 1,828 1,819 1,816 954 0,741 1,815 1,597 955 1,136 1,592 1,595 956 1,819 1,825 1,805 957 1,109 1,816 1,594 958 1,606 1,811 1,813 959 1,807 1,827 1,587 960 1,825 1,603 1,822 961 1,803 1,814 1,444 962 1,816 1,604 1,805 963 1,588 1,813 1,585 964 1,823 1,149 1,813 965 1,597 1,599 1,816 966 1,807 1,592 1,82 967 1,608 1,823 1,598 968 1,353 1,607 1,813 969 1,629 1,59 1,614 970 1,588 1,591 1,804 971 1,605 1,114 1,611 972 1,134 1,588 1,591 973 1,422 1,671 1,624 974 1,8 1,806 1,818 975 1,814 1,804 1,814 No. Rep1 Å Rep2 Å Rep3 Å 976 1,828 1,593 1,593 977 1,59 1,135 1,822 978 1,808 1,591 1,595 979 1,814 1,427 1,827 980 1,602 1,804 1,818 981 1,819 1,613 1,603 982 1,367 1,805 1,59 983 1,808 1,805 1,599 984 1,591 1,819 1,139 985 1,812 1,829 1,62 986 1,824 1,596 1,6 987 1,595 1,593 1,821 988 1,804 1,806 1,591 989 1,428 1,813 1,623 990 1,806 1,593 1,439 991 1,596 1,583 1,826 992 1,804 1,814 1,808 993 1,802 1,827 1,814 994 1,602 1,812 1,809 995 1,14 1,827 1,592 996 1,598 1,821 1,59 997 1,603 1,624 1,826 998 1,592 1,823 1,594 999 1,59 1,829 1,594 1000 1,148 1,591 1,806 RMSD 2 Å 100 100 100 Tabel IV. Nilai RMSD 4-hidroksi-tamoxifen dari ChemPLP yang tidak disaring ikatan hidrogen dengan Asp351 No. Rep1 Å Rep2 Å Rep3 Å 1 1,818 1,829 1,594 2 1,822 1,598 1,602 3 1,438 1,809 1,592 4 1,81 1,807 1,633 5 1,807 1,812 1,572 6 1,809 1,594 1,419 7 1,806 1,593 1,831 8 1,596 1,593 1,806 No. Rep1 Å Rep2 Å Rep3 Å 9 1,806 1,591 1,592 10 1,592 1,815 1,813 11 1,596 1,823 1,618 12 1,108 1,829 1,808 13 1,596 1,809 1,807 14 1,115 1,589 1,811 15 1,699 1,802 1,815 16 1,822 1,805 1,804 No. Rep1 Å Rep2 Å Rep3 Å 17 1,812 1,806 1,816 18 1,605 1,61 1,603 19 1,825 1,599 1,805 20 1,665 1,813 1,596 21 1,841 1,112 1,811 22 1,836 1,593 1,731 23 1,597 1,828 1,597 24 1,818 1,817 1,592 Tabel III. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 25 1,757 1,815 1,593 26 1,823 1,815 1,804 27 1,825 1,585 1,591 28 1,42 1,589 1,804 29 1,828 1,827 1,803 30 1,111 1,828 1,76 31 1,815 1,595 1,592 32 1,815 1,591 1,812 33 1,822 1,828 1,827 34 1,821 1,811 1,623 35 1,812 1,596 1,829 36 1,074 1,597 0,964 37 1,404 1,808 1,428 38 1,587 1,591 1,817 39 1,596 1,614 1,076 40 1,6 1,607 1,591 41 1,837 1,807 1,811 42 1,409 1,812 1,819 43 1,111 1,827 1,593 44 1,419 1,807 1,613 45 1,821 1,812 1,596 46 1,818 1,603 1,821 47 1,845 1,591 1,384 48 1,602 1,813 1,332 49 1,607 1,595 1,18 50 1,824 1,823 1,118 51 1,817 1,819 1,811 52 1,819 1,805 1,811 53 1,602 1,61 1,59 54 1,818 1,607 1,818 55 1,59 1,59 1,824 56 1,804 1,591 1,592 57 1,593 1,802 1,413 58 1,925 1,828 1,811 59 1,817 1,597 1,625 60 1,58 1,811 1,813 61 1,804 1,62 1,593 62 1,604 1,806 1,314 No. Rep1 Å Rep2 Å Rep3 Å 63 1,594 1,807 1,141 64 1,814 1,838 1,805 65 1,823 1,81 1,591 66 1,604 1,591 1,834 67 1,607 1,603 1,603 68 1,125 1,806 1,816 69 1,601 1,591 1,596 70 1,111 1,824 1,111 71 1,598 1,803 1,81 72 1,809 1,629 1,489 73 1,822 1,81 1,811 74 1,111 1,124 1,591 75 1,82 1,147 1,829 76 1,593 1,811 1,604 77 1,819 1,814 1,597 78 1,595 1,604 1,807 79 1,599 1,111 1,59 80 1,811 1,804 1,137 81 1,828 1,821 0,737 82 1,829 1,809 1,599 83 1,827 1,591 1,601 84 1,593 1,6 1,809 85 0,808 1,82 1,593 86 1,805 1,587 1,592 87 1,588 1,82 1,814 88 1,615 1,612 1,594 89 1,595 1,823 1,591 90 1,809 1,601 1,161 91 1,593 1,563 1,837 92 1,596 1,828 1,813 93 1,449 1,594 1,811 94 1,596 1,588 1,589 95 1,838 1,821 1,594 96 1,14 1,595 1,81 97 1,595 1,813 1,603 98 1,818 1,825 1,809 99 1,806 1,805 1,614 100 1,428 1,803 1,811 No. Rep1 Å Rep2 Å Rep3 Å 101 1,818 1,426 1,823 102 1,821 1,827 1,595 103 1,587 1,601 1,607 104 1,597 1,141 1,664 105 1,6 1,431 1,823 106 1,821 1,809 1,599 107 1,813 1,616 1,807 108 1,822 1,138 1,817 109 1,815 1,595 1,586 110 1,146 1,823 1,598 111 1,81 1,808 1,137 112 1,827 1,818 1,831 113 1,617 1,6 1,587 114 1,589 1,82 1,809 115 1,807 1,618 1,139 116 1,594 1,837 1,812 117 1,352 1,597 1,813 118 1,823 1,612 1,146 119 1,403 1,142 1,534 120 1,142 1,596 1,607 121 1,815 1,627 1,822 122 1,611 1,812 1,816 123 1,809 1,598 1,812 124 1,594 1,809 1,711 125 1,594 1,594 1,812 126 1,594 1,599 1,823 127 1,813 1,819 1,144 128 1,6 1,829 1,806 129 1,807 1,802 1,357 130 1,83 1,593 1,809 131 1,822 1,826 1,138 132 1,802 1,404 1,801 133 1,806 1,822 1,577 134 1,818 1,589 1,404 135 1,84 1,814 1,567 136 1,821 1,803 1,827 137 1,595 1,602 1,817 138 1,815 1,597 1,603 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 139 1,426 1,592 1,824 140 0,807 1,597 1,815 141 1,818 1,601 1,598 142 1,594 1,432 1,59 143 1,804 1,807 1,618 144 1,592 1,824 1,825 145 1,817 1,612 1,812 146 1,149 1,586 1,597 147 1,81 1,824 1,813 148 1,111 0,753 1,117 149 1,63 1,811 1,592 150 1,607 1,808 1,62 151 1,58 1,823 1,6 152 1,592 1,623 1,591 153 1,811 1,816 1,597 154 1,62 1,596 1,596 155 1,589 1,819 1,608 156 1,429 1,117 1,816 157 1,592 1,804 1,816 158 1,828 1,625 1,591 159 1,426 1,617 1,807 160 1,592 1,7 1,81 161 1,61 1,598 1,595 162 1,808 1,813 1,436 163 1,62 1,602 1,601 164 1,809 1,803 1,813 165 1,596 1,591 1,6 166 1,587 1,427 1,818 167 1,425 1,601 1,609 168 1,811 1,593 1,82 169 1,822 1,813 1,602 170 0,753 1,594 1,599 171 1,808 1,595 1,816 172 1,594 1,596 1,823 173 1,808 1,598 1,437 174 1,591 1,56 1,604 175 1,604 1,591 1,594 176 1,593 1,806 1,803 No. Rep1 Å Rep2 Å Rep3 Å 177 1,599 1,591 1,826 178 1,147 1,593 1,599 179 1,806 1,819 1,824 180 1,812 1,824 1,601 181 1,593 1,615 1,602 182 1,595 1,593 1,597 183 1,596 1,433 1,592 184 1,812 1,594 1,603 185 1,805 1,813 1,353 186 1,346 0,738 1,59 187 1,615 1,594 1,6 188 1,126 1,588 1,834 189 1,815 1,598 1,598 190 1,85 1,599 1,813 191 1,595 1,826 1,601 192 1,596 1,83 1,807 193 1,819 1,593 1,588 194 1,826 1,627 1,594 195 1,805 1,139 1,816 196 1,615 1,571 1,596 197 1,827 1,839 1,602 198 1,81 1,809 1,82 199 1,615 1,591 1,813 200 1,818 1,592 1,108 201 1,588 1,837 1,607 202 1,808 1,595 1,823 203 1,809 1,613 1,601 204 1,592 1,238 1,824 205 1,593 0,719 1,814 206 1,606 1,59 1,595 207 1,81 1,599 1,597 208 1,814 1,83 1,592 209 1,138 1,596 1,429 210 1,806 1,6 1,805 211 1,59 1,593 1,802 212 1,59 1,809 1,591 213 1,819 1,608 1,814 214 1,815 1,43 1,829 No. Rep1 Å Rep2 Å Rep3 Å 215 1,595 1,829 1,811 216 1,608 1,816 1,623 217 1,82 1,597 1,589 218 1,591 1,824 1,596 219 1,434 1,824 1,73 220 1,811 1,814 1,594 221 1,826 1,137 1,139 222 1,812 1,826 1,593 223 1,593 1,83 1,814 224 1,591 1,807 1,337 225 1,811 1,806 1,806 226 1,822 1,804 1,81 227 1,593 1,823 1,816 228 1,825 1,804 1,592 229 1,113 1,805 1,836 230 1,815 1,814 1,609 231 1,598 1,821 1,807 232 1,818 1,808 1,815 233 1,597 1,596 1,591 234 1,59 1,815 1,824 235 1,812 1,818 1,81 236 1,353 1,818 1,823 237 1,824 1,605 1,825 238 1,834 1,826 1,809 239 1,606 1,597 1,808 240 1,608 1,814 1,158 241 1,1 1,608 1,81 242 1,807 0,727 1,117 243 1,804 1,593 1,805 244 1,607 1,819 1,627 245 1,605 1,628 1,843 246 1,112 1,831 1,818 247 1,125 1,591 1,611 248 1,811 1,6 1,595 249 1,593 1,594 1,621 250 1,819 1,814 1,835 251 1,592 1,344 1,594 252 1,598 1,589 1,805 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 253 1,811 1,594 1,622 254 1,821 0,742 1,592 255 1,596 1,814 1,136 256 1,608 1,597 1,145 257 1,599 1,82 1,819 258 1,151 1,809 1,605 259 1,593 1,592 1,588 260 1,805 1,817 1,81 261 1,439 1,824 1,817 262 1,593 1,816 1,592 263 1,41 1,598 1,596 264 1,833 1,617 1,824 265 1,594 1,814 1,597 266 1,427 1,619 1,811 267 1,817 0,712 1,701 268 1,828 2,072 1,823 269 1,806 1,602 1,808 270 1,614 1,827 1,814 271 1,589 1,592 1,58 272 1,592 1,812 1,59 273 1,813 1,594 1,598 274 1,812 1,112 1,594 275 1,607 1,117 1,349 276 1,823 1,593 1,604 277 1,424 1,15 1,823 278 1,409 1,593 1,808 279 1,822 1,59 1,594 280 1,602 1,832 1,594 281 1,808 1,808 1,593 282 1,591 1,808 1,351 283 1,588 1,596 1,592 284 1,807 1,824 1,592 285 1,823 1,595 1,804 286 1,619 1,807 1,599 287 1,591 1,587 1,588 288 1,815 1,823 1,812 289 1,804 1,812 1,804 290 1,128 1,812 1,591 No. Rep1 Å Rep2 Å Rep3 Å 291 1,594 1,593 1,591 292 1,831 1,593 1,823 293 1,148 1,819 1,816 294 1,148 1,822 1,604 295 1,805 1,594 1,11 296 1,602 1,117 1,41 297 1,597 1,807 1,596 298 1,809 1,816 1,812 299 1,8 1,599 1,321 300 1,598 1,811 1,816 301 1,607 1,821 1,14 302 1,614 1,833 1,806 303 1,592 1,592 1,589 304 1,129 1,593 1,592 305 1,615 1,313 1,816 306 1,839 1,807 1,591 307 1,343 1,833 1,595 308 1,851 1,805 1,81 309 1,425 1,813 1,111 310 1,59 1,83 1,432 311 1,593 1,58 1,814 312 1,825 1,599 1,603 313 1,808 1,82 1,819 314 1,813 1,825 1,595 315 1,142 1,429 1,827 316 1,447 1,591 1,808 317 1,812 1,598 1,141 318 1,428 1,608 1,594 319 1,824 1,813 1,81 320 1,595 1,602 1,599 321 1,816 1,597 1,618 322 1,818 1,812 1,808 323 1,815 1,592 1,809 324 1,608 1,82 1,15 325 1,592 1,119 1,821 326 1,815 1,595 1,817 327 1,117 1,823 1,595 328 1,803 1,592 1,83 No. Rep1 Å Rep2 Å Rep3 Å 329 1,827 1,592 1,823 330 1,595 1,809 1,811 331 1,813 1,599 1,604 332 1,591 0,726 1,827 333 1,814 1,817 1,594 334 1,815 1,809 1,59 335 1,593 1,832 1,117 336 1,595 1,81 1,601 337 1,593 1,608 1,329 338 1,807 1,821 1,813 339 1,601 1,816 1,836 340 1,606 1,814 1,114 341 1,808 1,595 1,807 342 1,813 1,808 1,587 343 1,598 1,601 1,809 344 1,827 1,112 1,591 345 1,605 1,81 1,615 346 1,808 1,112 1,163 347 1,808 1,592 1,599 348 1,804 1,593 1,813 349 1,605 1,82 1,824 350 1,81 1,592 1,498 351 0,724 1,808 1,603 352 1,595 1,6 1,6 353 1,596 1,595 1,362 354 1,424 1,14 1,591 355 1,829 1,881 1,598 356 1,619 1,808 1,11 357 1,589 1,809 1,596 358 1,591 1,809 1,589 359 1,614 1,806 1,591 360 1,806 1,598 1,804 361 1,825 1,594 1,811 362 1,591 1,592 1,817 363 1,824 1,831 1,615 364 1,137 1,318 1,82 365 1,815 1,607 1,6 366 1,355 1,822 1,837 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 367 1,817 1,806 1,814 368 1,821 1,823 1,594 369 1,593 1,443 1,808 370 1,809 1,802 1,6 371 1,824 1,344 1,591 372 1,12 1,591 1,805 373 1,809 1,601 1,81 374 1,611 1,595 1,622 375 1,591 1,829 1,803 376 1,541 1,832 1,808 377 1,594 1,594 1,597 378 1,121 1,82 1,819 379 1,601 1,406 1,608 380 1,591 1,6 1,822 381 1,59 1,615 1,595 382 1,824 1,578 1,814 383 1,827 1,592 1,137 384 1,801 1,815 1,821 385 1,592 1,838 1,603 386 1,429 1,602 1,811 387 1,599 1,826 1,614 388 1,817 1,805 1,611 389 1,808 1,428 1,137 390 1,592 1,603 1,59 391 1,614 1,119 1,334 392 1,593 1,617 1,386 393 1,805 1,594 1,814 394 1,597 1,807 1,813 395 1,807 1,815 1,805 396 1,593 1,814 1,596 397 1,423 1,604 1,591 398 1,408 1,825 1,598 399 1,803 1,822 1,815 400 1,829 1,807 1,802 401 1,614 1,598 1,836 402 1,603 1,801 1,597 403 1,619 1,816 1,81 404 1,588 1,607 1,818 No. Rep1 Å Rep2 Å Rep3 Å 405 1,59 1,592 1,615 406 1,604 1,619 1,588 407 1,593 1,81 1,599 408 1,139 1,34 1,804 409 1,595 1,821 1,811 410 1,814 1,43 1,598 411 1,596 1,42 1,611 412 1,805 1,825 1,606 413 1,821 1,805 1,118 414 1,824 1,81 1,593 415 1,816 1,592 1,594 416 1,623 1,61 1,117 417 1,594 1,805 1,597 418 1,813 1,804 1,615 419 1,804 1,594 1,596 420 1,113 1,812 1,827 421 1,594 1,807 1,61 422 1,625 1,812 1,602 423 1,597 1,594 1,816 424 1,833 1,601 1,875 425 1,837 1,817 1,809 426 1,598 1,597 1,602 427 1,122 1,6 1,815 428 1,833 1,803 1,823 429 1,593 1,424 1,14 430 1,601 1,116 1,804 431 1,593 1,604 1,611 432 1,829 1,602 1,839 433 1,825 1,816 1,817 434 1,832 1,813 1,822 435 1,818 1,824 1,589 436 0,737 1,61 1,593 437 1,835 1,589 1,597 438 1,803 1,816 1,814 439 1,828 1,603 1,593 440 1,598 1,618 1,592 441 1,594 1,599 1,803 442 1,591 1,809 1,595 No. Rep1 Å Rep2 Å Rep3 Å 443 1,82 1,809 1,816 444 1,596 1,589 1,599 445 1,815 1,805 1,831 446 1,597 1,14 1,59 447 1,597 1,816 1,821 448 1,434 1,615 1,807 449 1,839 1,341 1,832 450 1,595 1,636 1,824 451 1,592 0,72 1,44 452 1,592 1,431 1,808 453 1,615 1,598 1,815 454 1,594 1,594 1,574 455 1,59 1,817 1,422 456 1,815 1,824 1,817 457 1,807 1,278 1,59 458 1,599 1,845 1,812 459 1,434 1,831 1,589 460 1,595 1,584 1,815 461 1,81 1,82 1,144 462 1,807 1,593 1,817 463 1,836 1,594 1,591 464 1,831 1,821 1,588 465 1,596 1,807 1,142 466 1,325 1,623 1,81 467 1,82 1,587 1,592 468 1,133 1,831 1,362 469 1,592 1,587 1,11 470 1,597 1,834 1,84 471 1,828 1,422 1,603 472 1,81 1,815 1,589 473 1,825 1,61 1,811 474 1,598 1,809 1,809 475 1,139 1,614 1,602 476 1,827 1,118 1,598 477 1,812 1,592 1,804 478 1,606 1,806 1,153 479 1,824 1,821 1,592 480 1,589 1,602 1,431 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 481 1,809 1,831 1,815 482 1,83 1,589 1,829 483 1,829 1,806 1,592 484 1,595 1,4 1,606 485 1,818 1,824 1,421 486 1,119 1,624 1,115 487 1,42 1,602 0,75 488 1,596 1,596 1,816 489 1,81 1,833 1,6 490 1,808 1,14 1,819 491 1,592 1,426 1,81 492 1,817 1,595 0,748 493 1,835 1,824 1,605 494 1,595 1,823 1,813 495 1,432 1,59 1,806 496 1,831 1,592 1,425 497 1,819 1,811 1,812 498 1,609 1,807 1,83 499 1,812 1,815 1,866 500 1,591 1,825 1,594 501 1,6 1,823 1,835 502 1,815 1,803 1,43 503 1,622 1,592 1,833 504 1,399 1,62 1,825 505 1,59 1,604 1,604 506 1,592 1,602 1,822 507 1,84 1,813 1,6 508 1,807 1,588 1,607 509 1,619 1,593 1,818 510 1,621 1,594 1,593 511 1,808 1,832 1,808 512 1,11 1,818 1,81 513 1,592 1,807 1,592 514 1,596 1,607 1,593 515 0,708 1,828 1,807 516 1,597 1,594 1,59 517 1,81 1,825 1,593 518 1,618 1,596 1,803 No. Rep1 Å Rep2 Å Rep3 Å 519 1,601 1,812 1,829 520 1,83 1,594 1,595 521 1,823 1,83 1,429 522 1,598 1,816 1,606 523 1,404 1,819 1,753 524 1,6 1,83 1,811 525 1,613 1,836 1,604 526 1,834 1,826 1,596 527 1,591 1,601 1,592 528 1,826 1,592 1,594 529 1,809 1,817 1,118 530 1,814 1,807 1,595 531 1,592 1,599 1,807 532 1,816 1,811 1,808 533 1,604 1,799 1,823 534 1,122 1,906 1,61 535 1,837 1,819 1,422 536 1,809 1,829 1,602 537 1,623 1,816 1,803 538 1,804 1,801 1,81 539 1,808 1,816 1,122 540 1,811 1,813 1,449 541 1,595 1,606 1,591 542 1,596 1,571 1,606 543 1,833 1,596 1,806 544 1,829 1,806 1,606 545 1,597 1,592 1,592 546 1,805 1,813 1,593 547 1,81 1,595 1,613 548 1,843 1,628 1,808 549 1,604 1,595 1,625 550 1,608 1,612 1,808 551 1,594 1,807 1,822 552 1,816 1,589 1,832 553 1,822 1,807 1,615 554 1,297 1,825 1,819 555 1,116 1,83 1,815 556 1,143 1,816 1,596 No. Rep1 Å Rep2 Å Rep3 Å 557 1,817 1,6 1,819 558 1,597 1,82 1,592 559 1,152 1,589 1,817 560 1,591 1,808 1,804 561 1,602 1,816 1,803 562 1,592 1,825 1,593 563 1,136 1,593 1,126 564 1,848 1,811 1,603 565 1,831 1,6 1,593 566 1,118 1,823 1,817 567 1,805 1,597 1,849 568 1,592 1,606 1,82 569 1,566 1,604 1,599 570 1,596 1,808 1,612 571 1,591 1,429 1,813 572 1,812 1,601 1,805 573 1,804 1,819 1,805 574 1,59 1,813 1,139 575 1,422 1,637 1,592 576 1,593 1,595 1,14 577 1,81 1,805 1,592 578 1,598 1,811 1,591 579 1,824 1,833 1,594 580 1,325 1,826 1,434 581 1,603 1,813 1,809 582 1,835 1,809 1,809 583 1,836 1,823 1,598 584 1,589 1,818 1,603 585 0,715 1,597 1,614 586 1,822 1,84 1,814 587 1,593 1,625 1,416 588 1,615 1,806 1,108 589 0,753 1,136 1,821 590 1,814 1,596 1,832 591 1,81 1,822 1,606 592 1,821 1,808 1,816 593 1,814 1,819 1,81 594 1,805 0,79 1,809 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 595 1,811 1,426 1,591 596 1,819 1,235 1,806 597 1,148 1,809 1,598 598 1,591 1,818 1,824 599 1,808 1,822 1,809 600 1,377 1,816 1,834 601 1,581 1,824 1,819 602 1,595 1,603 1,599 603 1,423 1,835 1,595 604 1,823 1,808 1,593 605 1,124 1,8 1,427 606 1,804 1,819 1,118 607 1,821 1,596 1,831 608 1,594 1,826 1,6 609 1,603 1,827 1,832 610 1,833 1,808 1,142 611 1,819 1,814 1,835 612 1,826 1,832 1,136 613 1,807 1,823 1,592 614 1,592 1,598 1,817 615 1,806 1,593 1,587 616 1,823 1,416 1,599 617 1,824 1,598 1,591 618 1,626 1,614 1,812 619 1,606 1,807 1,817 620 1,603 1,806 1,594 621 1,81 0,745 1,143 622 1,813 1,809 1,61 623 1,612 1,591 1,597 624 1,812 1,826 1,595 625 1,812 1,809 1,585 626 1,807 1,831 1,599 627 1,813 1,809 1,826 628 1,595 1,606 1,806 629 1,606 1,597 1,595 630 1,818 1,598 1,821 631 1,821 1,603 1,137 632 1,679 1,814 1,605 No. Rep1 Å Rep2 Å Rep3 Å 633 1,596 1,592 1,817 634 1,591 1,829 1,809 635 1,423 1,803 1,805 636 1,592 1,807 1,433 637 1,816 1,112 1,808 638 1,598 1,817 1,597 639 1,812 1,595 1,609 640 1,598 1,816 1,117 641 1,122 1,821 1,591 642 1,588 1,595 1,597 643 1,606 1,815 1,59 644 1,599 1,83 1,131 645 1,592 1,814 1,809 646 1,726 1,828 1,6 647 1,591 1,592 1,814 648 1,151 1,81 1,808 649 1,827 1,593 1,602 650 1,81 1,599 1,799 651 1,82 1,424 1,845 652 1,608 1,806 1,591 653 1,114 1,591 1,812 654 1,595 1,812 1,596 655 1,592 1,137 1,816 656 1,817 1,596 1,832 657 1,405 1,805 1,597 658 1,807 1,807 1,593 659 1,332 1,582 1,806 660 1,6 1,827 1,815 661 1,59 1,84 1,815 662 1,114 1,81 1,598 663 1,829 1,805 1,813 664 1,817 1,594 1,143 665 1,598 1,596 1,82 666 1,594 1,813 1,82 667 1,816 1,739 1,81 668 1,35 1,594 1,59 669 1,816 1,816 1,598 670 1,134 1,805 1,811 No. Rep1 Å Rep2 Å Rep3 Å 671 1,805 1,8 1,903 672 1,806 1,593 1,827 673 1,815 1,591 1,799 674 1,816 1,826 1,818 675 1,501 1,138 1,812 676 1,814 1,435 1,854 677 1,837 1,592 1,583 678 1,593 1,812 1,593 679 1,593 1,605 1,586 680 1,596 1,574 1,81 681 1,597 1,808 1,595 682 1,59 1,605 1,594 683 1,818 1,824 1,589 684 1,11 1,596 1,114 685 1,608 1,591 1,678 686 1,607 1,592 1,831 687 1,807 1,824 1,603 688 1,596 1,815 1,6 689 1,423 1,819 1,597 690 1,822 1,842 1,812 691 1,598 1,594 1,805 692 1,599 1,594 1,806 693 1,592 1,597 0,747 694 1,815 1,807 1,599 695 1,807 1,826 1,807 696 1,615 1,811 1,595 697 1,6 1,327 1,589 698 1,811 1,138 1,819 699 1,827 1,143 1,826 700 1,597 1,616 1,335 701 1,811 1,589 1,817 702 1,596 1,597 1,599 703 1,833 1,589 1,81 704 1,589 1,608 1,827 705 1,826 1,806 1,829 706 1,809 1,592 1,111 707 1,598 1,362 1,82 708 1,809 1,581 1,866 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 709 1,824 1,344 1,808 710 1,122 1,114 1,615 711 1,111 1,142 1,813 712 1,59 1,808 1,594 713 1,812 1,598 1,816 714 1,591 1,814 1,813 715 1,829 1,605 1,594 716 1,597 1,588 1,808 717 1,823 1,594 1,459 718 1,807 1,111 1,591 719 1,14 1,83 1,806 720 1,804 1,603 1,817 721 1,591 1,349 1,592 722 1,602 1,832 1,316 723 1,599 1,837 1,59 724 1,81 1,67 1,594 725 1,591 1,614 1,592 726 1,834 1,835 1,591 727 1,592 1,817 1,806 728 1,803 1,595 1,816 729 1,603 1,81 1,818 730 1,809 1,433 1,595 731 1,815 1,61 1,427 732 1,799 1,589 1,813 733 1,814 1,821 1,147 734 1,821 1,597 1,145 735 1,806 1,831 1,809 736 1,6 1,632 1,591 737 1,819 1,811 1,584 738 1,824 1,831 1,814 739 1,125 1,609 1,81 740 1,813 1,596 1,827 741 1,805 1,81 1,607 742 1,592 1,424 1,109 743 1,832 1,597 1,595 744 1,593 1,823 1,591 745 1,81 1,821 1,596 746 1,849 0,769 1,817 No. Rep1 Å Rep2 Å Rep3 Å 747 1,597 0,817 1,812 748 1,805 1,806 1,597 749 1,61 1,591 1,591 750 1,594 1,921 1,812 751 1,826 1,594 1,607 752 1,587 1,14 1,598 753 1,594 1,592 1,829 754 1,819 1,805 1,153 755 1,599 1,596 1,67 756 1,813 1,827 1,806 757 1,605 1,435 1,596 758 1,602 1,595 1,594 759 1,591 1,819 1,805 760 1,817 1,823 1,82 761 1,604 1,806 1,802 762 1,135 1,809 1,81 763 1,594 1,816 1,587 764 1,828 1,618 1,808 765 1,595 1,803 1,112 766 1,619 1,825 1,602 767 1,589 1,429 1,597 768 1,817 1,6 1,803 769 1,806 1,807 1,604 770 1,59 1,598 1,809 771 1,815 1,827 1,823 772 1,804 1,826 1,826 773 1,609 1,115 1,127 774 1,589 1,112 1,813 775 1,598 1,809 1,809 776 1,16 1,603 0,739 777 1,819 1,41 1,613 778 1,809 1,591 1,421 779 1,81 1,598 1,589 780 1,624 1,802 1,824 781 1,592 1,424 1,817 782 1,605 1,592 1,583 783 1,817 1,824 1,109 784 1,825 1,826 1,59 No. Rep1 Å Rep2 Å Rep3 Å 785 1,603 1,839 1,594 786 1,83 1,804 1,816 787 1,808 1,586 1,589 788 1,746 1,594 1,592 789 1,158 1,119 1,601 790 1,818 1,808 1,589 791 1,944 1,844 0,712 792 1,601 1,6 1,827 793 1,825 1,811 1,354 794 1,597 1,816 1,4 795 1,814 1,592 1,148 796 1,809 1,604 1,598 797 1,814 1,825 1,602 798 1,628 1,808 1,612 799 1,591 1,141 1,591 800 1,83 1,595 1,806 801 1,808 1,801 1,425 802 1,822 1,807 1,623 803 1,802 1,593 1,812 804 1,81 1,601 1,426 805 1,592 1,808 1,599 806 1,591 1,834 1,597 807 1,814 1,593 1,592 808 1,826 1,807 1,595 809 1,608 1,619 1,577 810 1,808 1,593 1,817 811 1,811 1,602 1,822 812 1,495 1,593 1,6 813 1,605 1,814 1,594 814 1,806 1,66 1,818 815 0,728 1,6 1,597 816 1,811 1,821 1,598 817 1,809 1,812 1,806 818 1,809 1,124 1,805 819 1,597 1,593 1,594 820 1,292 1,594 1,815 821 1,6 1,597 1,603 822 1,814 1,601 1,595 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 823 1,599 1,812 1,816 824 1,609 1,987 1,826 825 1,141 1,59 1,804 826 1,63 1,59 1,601 827 1,812 1,806 1,609 828 1,816 1,806 1,591 829 1,59 1,805 1,598 830 1,59 1,813 1,812 831 1,804 1,142 1,598 832 1,592 1,808 1,594 833 1,595 1,813 1,83 834 1,821 1,594 1,596 835 1,595 1,828 1,595 836 1,81 1,822 1,823 837 1,813 1,808 1,814 838 1,807 1,81 1,588 839 1,813 1,601 1,587 840 1,592 1,418 1,599 841 1,819 1,813 1,596 842 1,833 1,617 1,591 843 1,143 1,599 1,588 844 1,817 0,708 1,818 845 1,828 1,615 1,824 846 1,826 1,809 1,837 847 1,513 1,595 1,811 848 1,618 1,604 1,808 849 1,82 1,425 1,591 850 1,823 1,593 1,627 851 1,829 1,828 1,827 852 1,583 1,807 1,606 853 1,819 1,84 1,804 854 1,418 1,595 1,811 855 1,441 1,81 0,722 856 1,589 1,606 1,594 857 1,815 1,599 1,594 858 1,617 1,839 1,594 859 1,826 1,82 1,826 860 1,657 1,593 1,808 No. Rep1 Å Rep2 Å Rep3 Å 861 1,596 1,815 1,115 862 1,836 1,59 1,813 863 1,818 1,815 1,598 864 1,825 1,143 1,806 865 1,827 1,601 1,592 866 1,817 1,592 1,827 867 1,824 1,591 1,603 868 1,802 1,819 1,596 869 1,59 1,84 1,811 870 1,805 1,596 1,423 871 1,844 1,808 1,596 872 1,598 1,81 1,812 873 1,596 1,605 1,597 874 1,587 1,626 1,809 875 1,811 1,593 0,787 876 1,814 1,817 1,807 877 1,829 1,808 1,813 878 1,828 1,595 1,421 879 1,592 1,819 1,616 880 1,818 1,806 1,599 881 1,716 1,822 1,611 882 1,81 1,601 1,593 883 1,817 1,589 1,614 884 1,597 1,591 1,815 885 1,595 1,825 1,219 886 1,599 1,616 1,582 887 1,81 1,82 1,589 888 1,418 1,81 1,591 889 0,714 1,588 1,814 890 1,115 1,807 1,803 891 1,821 1,591 1,805 892 1,595 1,811 1,811 893 1,62 1,601 1,621 894 1,815 1,613 1,6 895 1,588 1,814 1,816 896 1,117 1,583 1,807 897 1,808 1,827 1,813 898 1,587 1,594 1,119 No. Rep1 Å Rep2 Å Rep3 Å 899 1,589 1,603 1,813 900 1,114 1,808 1,594 901 1,404 1,139 1,152 902 1,831 1,821 1,61 903 1,6 1,834 1,582 904 1,811 1,599 1,805 905 1,603 1,82 1,594 906 1,802 1,592 1,14 907 1,599 1,597 1,6 908 1,822 1,613 1,66 909 1,597 1,82 1,823 910 1,604 1,598 1,617 911 1,811 1,592 1,6 912 1,591 1,829 1,809 913 1,14 1,805 1,603 914 1,608 1,815 1,607 915 1,819 1,61 1,839 916 1,804 1,822 1,593 917 1,807 1,601 1,581 918 1,615 1,805 1,826 919 1,817 1,809 1,594 920 1,808 1,601 1,819 921 1,824 1,826 1,805 922 1,596 1,594 1,802 923 1,813 1,809 1,827 924 1,809 1,592 1,591 925 1,6 1,602 1,813 926 1,594 1,808 1,591 927 1,591 1,591 1,811 928 1,256 1,593 1,83 929 1,599 1,591 1,596 930 1,591 1,363 1,594 931 1,593 1,605 1,591 932 1,614 1,807 1,612 933 1,597 1,11 1,62 934 1,804 1,807 1,816 935 1,144 1,141 1,593 936 1,593 1,815 1,598 Tabel IV. Lanjutan No. Rep1 Å Rep2 Å Rep3 Å 937 1,604 1,823 1,594 938 1,812 1,593 1,809 939 1,832 1,141 1,593 940 1,809 1,812 1,824 941 1,596 1,819 1,811 942 1,593 1,833 1,806 943 1,593 1,845 1,61 944 1,418 1,607 1,803 945 1,6 1,585 1,589 946 1,803 1,811 1,581 947 1,822 1,814 1,804 948 1,183 1,812 1,813 949 0,737 1,599 1,817 950 0,707 1,41 1,603 951 1,608 1,813 1,809 952 1,59 1,591 1,596 953 1,828 1,819 1,816 954 0,741 1,815 1,597 955 1,136 1,592 1,595 956 1,819 1,825 1,805 957 1,109 1,816 1,594 958 1,5 1,811 1,813 No. Rep1 Å Rep2 Å Rep3 Å 959 1,807 1,827 1,587 960 1,825 1,603 1,822 961 1,803 1,814 1,444 962 1,816 1,604 1,805 963 1,588 1,813 1,585 964 1,823 1,149 1,813 965 1,597 1,599 1,816 966 1,807 1,592 1,82 967 1,608 1,823 1,598 968 1,353 1,607 1,813 969 1,629 1,59 1,614 970 1,588 1,591 1,804 971 1,605 1,114 1,611 972 1,134 1,588 1,591 973 1,422 1,671 1,624 974 1,8 1,806 1,818 975 1,814 1,804 1,814 976 1,828 1,593 1,593 977 1,59 1,135 1,822 978 1,808 1,591 1,595 979 1,814 1,427 1,827 980 1,602 1,804 1,818 No. Rep1 Å Rep2 Å Rep3 Å 981 1,819 1,613 1,603 982 1,367 1,805 1,59 983 1,808 1,805 1,599 984 1,591 1,819 1,139 985 1,812 1,829 1,62 986 1,824 1,596 1,6 987 1,595 1,593 1,821 988 1,804 1,806 1,591 989 1,428 1,813 1,623 990 1,806 1,593 1,439 991 1,596 1,583 1,826 992 1,804 1,814 1,808 993 1,802 1,827 1,814 994 1,602 1,812 1,809 995 1,14 1,827 1,592 996 1,598 1,821 1,59 997 1,603 1,624 1,826 998 1,592 1,823 1,594 999 1,59 1,829 1,594 1000 1,148 1,591 1,806 RMSD 2 Å 100 99 100 Tabel V. Persentase nilai RMSD daidzein dari data Tc-PLIF RMSD 2 Å Tc-PLIF Tidak Disaring Disaring Rep1 Rep2 Rep3 Rep1 Rep2 Rep3 88.1 89.5 90.7 91 90.3 92 Tabel VI. Persentase nilai RMSD daidzein dari data ChemPLP RMSD 2 Å ChemPLP Tidak Disaring Disaring Rep1 Rep2 Rep3 Rep1 Rep2 Rep3 100 99 100 100 100 100 Tabel IV. Lanjutan Untuk mengetahui hasil dari penambatan ulang ligan kokristal, Tabel V dan Tabel VI dicocokan dengan Gambar 3. Hasil ditampilkan pada Gambar 4. Gambar 4. Diagram hasil pengambilan keputusan Berdasarkan Gambar 4, protokol yang digunakan dinyatakan valid untuk bagian data ChemPLP yang disaring ikatan hidrogen dengan Asp351 sehingga data hasil penambatan daidzein yang diproses lebih lanjut adalah data ChemPLP yang disaring ikatan hidrogen dengan Asp351. Jumlah RMSD 2 Å pada data Tc-PLIF disaring ikatan hidrogen dengan Asp351 tidak lebih dari 95 Tabel I sehingga protokol yang dikembangkan oleh Radifar et al. 2013 hanya digunakan untuk menilai efektifitas dari daidzein dan tidak digunakan untuk elusidasi moda ikatan.

C. Persiapan Perlakuan Daidzein