21
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