Project name: DENV2 NS5 aggregation [mutate: GD21A, EK616A, GE840A, TP414A, TD636A]

Status: done

Started: 2024-07-13 20:30:29
Settings
Chain sequence(s) A: GETLGEKWKNRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHHAVSRGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVKEVKGLTKGGPGHEEPIPMSTYGWNLVRLQSGVDVFFTPPEKCDTLLCDIGESSPNPTVEAGRTLRVLNLVENWLNNNTQFCIKVLNPYMPSVIEKMEALQRKYGGALVRNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDVDLGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSMVNGVVRLLTKPWDVIPMVTQMAMTDTTPFGQQRVFKEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIFTDENKWKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMGKREKKLGAKGSRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDIISRRDQRGSGQVVTYGLNTFTNMEAQLIRQMEGEGVFKSIQQLTATEEIAVKNWLVRVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGAGWSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSRTTWSIHATHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWCGSLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYM
B: ETLGEKWKNRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHHAVSRGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVKEVKGLTKGGPGHEEPIPMSTYGWNLVRLQSGVDVFFTPPEKCDTLLCDIGESSPNPTVEAGRTLRVLNLVENWLNNNTQFCIKVLNPYMPSVIEKMEALQRKYGGALVRNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDVDLGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSMVNGVVRLLTKPWDVIPMVTQMAMTDTTPFGQQRVFKEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIFTDENKWKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMGKREKKLGGKAKGSRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDIISRRDQRGSGQVVTYGLNTFTNMEAQLIRQMEGEGVFKSIQQLTATEEIAVKNWLVRVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGAGWSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSRTTWSIHATHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWCGSLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYM
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues EK616A,GD21A,GE840A,TP414A,TD636A
Energy difference between WT (input) and mutated protein (by FoldX) -10.6514 kcal/mol
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:12:23)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:13:12)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:24:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:24:48)
Show buried residues

Minimal score value
-3.8941
Maximal score value
2.1049
Average score
-0.7916
Total score value
-1384.504

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
6 G A -1.9413
7 E A -2.2271
8 T A -1.2210
9 L A -0.8555
10 G A 0.0000
11 E A -1.7442
12 K A -2.3628
13 W A 0.0000
14 K A 0.0000
15 N A -2.7827
16 R A -2.3775
17 L A 0.0000
18 N A -2.1398
19 A A -1.7896
20 L A -2.0431
21 D A -2.9598 mutated: GD21A
22 K A -2.8551
23 S A -1.9883
24 E A -2.0349
25 F A -1.4916
26 Q A -1.4679
27 I A -0.3881
28 Y A 0.0000
29 K A -0.8206
30 K A -1.2746
31 S A 0.0000
32 G A -1.6679
33 I A 0.0000
34 Q A -0.4712
35 E A 0.0000
36 V A 0.0000
37 D A -1.6288
38 R A -1.5455
39 T A -0.7024
40 L A 0.1664
41 A A 0.0000
42 K A -2.6575
43 E A -2.4355
44 G A 0.0000
45 I A -2.5583
46 K A -3.4654
47 R A -3.6642
48 G A -2.7273
49 E A -3.1138
50 T A -1.6642
51 D A -1.7619
52 H A -1.9665
53 H A -1.5752
54 A A 0.0000
55 V A 0.0000
56 S A -1.2601
57 R A -1.7673
58 G A -1.0382
59 S A 0.0000
60 A A 0.0000
61 K A -0.6314
62 L A 0.0000
63 R A -1.2196
64 W A -1.1615
65 F A 0.0000
66 V A -1.7438
67 E A -3.0305
68 R A -3.2988
69 N A -2.7514
70 L A -1.5477
71 V A 0.0000
72 T A -1.3874
73 P A 0.0000
74 E A -2.4333
75 G A -2.1582
76 K A -1.9989
77 V A 0.0000
78 V A 0.0000
79 D A 0.0000
80 L A 0.0000
81 G A -1.0249
82 C A 0.0000
83 G A 0.0000
84 R A -1.7396
85 G A 0.0000
86 G A 0.0000
87 W A 0.0000
88 S A 0.0000
89 Y A 0.0000
90 Y A 0.0000
91 C A 0.0000
92 G A 0.0000
93 G A -0.6528
94 L A -1.3472
95 K A -2.5798
96 N A -2.8395
97 V A 0.0000
98 K A -2.8278
99 E A -2.2704
100 V A 0.0000
101 K A -1.1953
102 G A 0.0000
103 L A 0.0000
104 T A 0.0000
105 K A -2.6508
106 G A -2.6140
107 G A -1.9487
108 P A -1.5850
109 G A -1.8044
110 H A -2.9769
111 E A -3.3335
112 E A -3.1974
113 P A -1.9139
114 I A -0.4694
115 P A -0.4903
116 M A 0.0000
117 S A 0.0000
118 T A 0.0000
119 Y A -0.1535
120 G A 0.0000
121 W A 0.0000
122 N A -0.9262
123 L A -1.0193
124 V A 0.0000
125 R A -2.3657
126 L A -1.4320
127 Q A -1.7084
128 S A -1.9123
129 G A -1.5671
130 V A -0.5505
131 D A -0.2697
132 V A 0.0000
133 F A 0.9118
134 F A 1.6948
135 T A 0.6345
136 P A -0.1860
137 P A -1.0535
138 E A -1.6902
139 K A -2.3853
140 C A 0.0000
141 D A -2.4652
142 T A 0.0000
143 L A 0.0000
144 L A 0.0000
145 C A 0.0000
146 D A -0.7999
147 I A -0.5385
148 G A -1.0834
149 E A -2.0008
150 S A -1.2362
151 S A 0.0000
152 P A -0.9491
153 N A -0.9509
154 P A -0.5598
155 T A -0.3076
156 V A 0.0000
157 E A 0.0000
158 A A 0.0000
159 G A 0.0000
160 R A -0.7666
161 T A 0.0000
162 L A -0.5680
163 R A -0.5794
164 V A 0.0000
165 L A 0.0000
166 N A -1.3585
167 L A 0.0000
168 V A 0.0000
169 E A -1.7586
170 N A -2.1232
171 W A 0.0000
172 L A 0.0000
173 N A -3.0574
174 N A -2.8153
175 N A -2.4678
176 T A 0.0000
177 Q A -1.2681
178 F A 0.0000
179 C A 0.0000
180 I A 0.0000
181 K A 0.0000
182 V A 0.0000
183 L A 0.0000
184 N A 0.0000
185 P A 0.0000
186 Y A 0.0000
187 M A -0.4271
188 P A -0.7123
189 S A -0.8319
190 V A 0.0000
191 I A -0.8577
192 E A -2.1856
193 K A -1.7100
194 M A 0.0000
195 E A -2.4405
196 A A -2.0517
197 L A 0.0000
198 Q A -2.1436
199 R A -2.9460
200 K A -2.9949
201 Y A -1.9727
202 G A -1.5782
203 G A -0.8792
204 A A 0.0000
205 L A 0.0000
206 V A 0.1187
207 R A 0.0219
208 N A 0.0000
209 P A -0.2579
210 L A 0.0000
211 S A 0.0000
212 R A -0.7037
213 N A 0.0000
214 S A -0.4414
215 T A -0.2372
216 H A 0.0000
217 E A 0.0000
218 M A 0.0000
219 Y A 0.0000
220 W A 0.0000
221 V A 0.0000
222 S A -0.7300
223 N A -1.2876
224 A A -0.8787
225 S A -0.8210
226 G A -1.0104
227 N A -1.4096
228 I A 0.0000
229 V A 0.2779
230 S A -0.0405
231 S A 0.0179
232 V A 0.0000
233 N A -0.0927
234 M A 0.4258
235 I A 0.0000
236 S A 0.0000
237 R A -1.7810
238 M A -0.8080
239 L A 0.0000
240 I A -0.9716
241 N A -1.4980
242 R A -1.4368
243 F A -0.4248
244 T A -0.6372
245 M A -1.3426
246 R A -2.5043
247 H A -2.0860
248 K A -2.9838
249 K A -2.5514
250 A A 0.0000
251 T A -0.4437
252 Y A 0.2594
253 E A -0.5280
254 P A -1.0039
255 D A -1.2998
256 V A 0.0000
257 D A -2.2675
258 L A 0.0000
259 G A -1.0905
260 S A 0.0000
261 G A 0.0000
262 T A 0.0000
263 R A 0.0000
264 N A -0.7666
265 I A -0.5568
266 G A -0.3403
267 I A 0.5079
268 E A -1.4080
269 S A -1.1883
270 E A -1.1224
271 T A -0.5908
272 P A -0.4894
273 N A -0.8204
274 L A -0.3011
275 D A -1.7213
276 I A -1.1624
277 I A 0.0000
278 G A 0.0000
279 K A -2.2826
280 R A 0.0000
281 I A 0.0000
282 E A -3.6688
283 K A -3.2278
284 I A 0.0000
285 K A -3.6407
286 Q A -3.8859
287 E A -3.7082
288 H A -3.2004
289 E A -3.3953
290 T A -1.8175
291 S A -1.5478
292 W A -1.4255
293 H A -0.4979
294 Y A 0.6630
295 D A 0.0000
296 Q A -1.2027
297 D A -0.9319
298 H A 0.0000
299 P A -0.5214
300 Y A 0.0000
301 K A -1.0137
302 T A 0.0000
303 W A 0.0000
304 A A -0.6670
305 Y A 0.0000
306 H A -0.2239
307 G A 0.0000
308 S A 0.0000
309 Y A 0.0000
310 E A -2.6632
311 T A -2.0805
312 K A -2.7016
313 Q A -2.3887
314 T A -1.2475
315 G A -0.8786
316 S A -0.6099
317 A A -0.5406
318 S A -0.3178
319 S A 0.1893
320 M A 0.8291
321 V A 1.2654
322 N A 0.0000
323 G A -0.0707
324 V A 0.0000
325 V A 0.0000
326 R A -1.3716
327 L A -0.9882
328 L A 0.0000
329 T A 0.0000
330 K A -1.6531
331 P A 0.0000
332 W A 0.0000
333 D A -0.2229
334 V A 1.4617
335 I A 0.8650
336 P A 0.3445
337 M A 0.4169
338 V A 0.0000
339 T A -0.0966
340 Q A -0.9266
341 M A 0.0000
342 A A -0.5467
343 M A 0.0000
344 T A 0.0000
345 D A -1.1757
346 T A 0.0000
347 T A -0.4955
348 P A 0.0000
349 F A -0.1258
350 G A 0.0000
351 Q A 0.0000
352 Q A 0.0000
353 R A -1.7895
354 V A 0.0000
355 F A 0.0000
356 K A -1.8825
357 E A -2.9758
358 K A -2.7685
359 V A -1.6440
360 D A 0.0000
361 T A -1.8133
362 R A -2.6288
363 T A 0.0000
364 Q A -2.5530
365 E A -3.0422
366 P A 0.0000
367 K A -2.9593
368 E A -3.4661
369 G A 0.0000
370 T A 0.0000
371 K A -2.8029
372 K A -2.3541
373 L A 0.0000
374 M A 0.0000
375 K A -2.5133
376 I A -1.7170
377 T A 0.0000
378 A A 0.0000
379 E A -2.6427
380 W A -1.4600
381 L A 0.0000
382 W A 0.0000
383 K A -3.0077
384 E A 0.0000
385 L A 0.0000
386 G A -2.2661
387 K A -3.1295
388 K A -3.0901
389 K A -2.2239
390 T A -1.2343
391 P A -0.8668
392 R A -0.9918
393 M A -0.2703
394 C A 0.0000
395 T A -1.1509
396 R A -1.7261
397 E A -2.6328
398 E A -2.1460
399 F A 0.0000
400 T A -2.9493
401 R A -3.6665
402 K A -2.6242
403 V A 0.0000
404 R A -3.8427
405 S A -2.4410
406 N A -2.3915
407 A A -1.2577
408 A A -0.0333
409 L A -0.0538
410 G A -0.0106
411 A A 0.3090
412 I A 0.4918
413 F A -0.2020
414 P A -1.8355 mutated: TP414A
415 D A -2.5614
416 E A -3.7565
417 N A -3.4786
418 K A -3.6624
419 W A 0.0000
420 K A -3.6878
421 S A -2.4210
422 A A -2.4367
423 R A -3.8941
424 E A -3.8524
425 A A 0.0000
426 V A 0.0000
427 E A -3.3476
428 D A -2.7924
429 S A -1.4769
430 G A -1.5482
431 F A 0.0000
432 W A -1.6602
433 E A -2.4751
434 L A -1.2942
435 V A 0.0000
436 D A -2.4380
437 K A -2.8242
438 E A 0.0000
439 R A -2.0250
440 N A -2.5512
441 L A -2.0689
442 H A 0.0000
443 L A -2.0096
444 E A -2.6078
445 G A -2.2409
446 K A -2.2958
447 C A 0.0000
448 E A -1.5038
449 T A -0.6806
450 C A 0.0000
451 V A 0.0000
452 Y A 0.0000
453 N A 0.1270
454 M A 0.0000
455 M A -0.0473
456 G A -0.6931
457 K A -0.9049
458 R A -0.8469
459 E A -0.8885
460 K A 0.0000
461 K A -0.9424
462 L A -0.2504
463 G A -0.9905
468 A A -1.0429
469 K A -1.9201
470 G A -1.5191
471 S A 0.0000
472 R A -1.7790
473 A A -0.4402
474 I A -0.0558
475 W A 0.1259
476 Y A 0.4796
477 M A 0.0000
478 W A 0.0000
479 L A 0.0000
480 G A 0.0000
481 A A 0.0000
482 R A 0.0000
483 F A 0.0000
484 L A 0.0000
485 E A 0.0000
486 F A 0.0000
487 E A 0.0000
488 A A 0.0000
489 L A 0.0000
490 G A 0.0000
491 F A 0.0000
492 L A 0.0000
493 N A -1.3821
494 E A -1.5769
495 D A -1.6027
496 H A -1.9536
497 W A 0.0000
498 F A 0.0000
499 S A -1.3374
500 R A -1.3046
501 E A -2.1560
502 N A 0.0000
503 S A 0.0000
504 L A -0.5092
505 S A 0.0000
506 G A 0.0000
507 V A 0.0000
508 E A -0.7852
509 G A -0.7102
510 E A -0.4611
511 G A 0.0000
512 L A 0.0000
513 H A 0.0000
514 K A -0.3361
515 L A 0.0000
516 G A 0.0000
517 Y A 0.0000
518 I A 0.0000
519 L A 0.0000
520 R A -1.6918
521 D A -1.6623
522 V A 0.0000
523 S A -1.8097
524 K A -2.4552
525 K A -1.9089
526 E A -1.3682
527 G A -0.9057
528 G A -0.7826
529 A A -1.0475
530 M A 0.0000
531 Y A 0.0000
532 A A 0.0000
533 D A -2.0995
534 D A -2.9616
535 T A -2.1205
536 A A -1.8213
537 G A -1.3319
538 W A 0.0000
539 D A -1.1129
540 T A -1.0131
541 R A -0.8435
542 I A 0.0000
543 T A 0.0000
544 L A -0.5975
545 E A -1.3380
546 D A 0.0000
547 L A 0.0000
548 K A -1.8241
549 N A 0.0000
550 E A 0.0000
551 E A -1.2472
552 M A -1.6440
553 V A 0.0000
554 T A -1.6884
555 N A -2.4102
556 H A -1.8765
557 M A 0.0000
558 E A -3.0730
559 G A -2.2398
560 E A -2.3707
561 H A 0.0000
562 K A -2.9116
563 K A -2.7475
564 L A 0.0000
565 A A 0.0000
566 E A -1.9971
567 A A 0.0000
568 I A 0.0000
569 F A 0.0000
570 K A -1.4944
571 L A 0.0000
572 T A 0.0000
573 Y A 0.0000
574 Q A 0.0000
575 N A 0.0000
576 K A 0.0000
577 V A 0.0000
578 V A 0.0000
579 R A -0.2155
580 V A 0.0000
581 Q A 0.0000
582 R A 0.0000
583 P A -0.6405
584 T A 0.0000
585 P A -1.3385
586 R A -2.3426
587 G A -2.0002
588 T A -1.7920
589 V A 0.0000
590 M A -0.8185
591 D A 0.0000
592 I A 0.0000
593 I A 0.0000
594 S A 0.0000
595 R A 0.0000
596 R A -0.6303
597 D A -0.6055
598 Q A 0.0000
599 R A 0.0000
600 G A 0.0000
601 S A 0.0000
602 G A 0.0000
603 Q A -0.5652
604 V A -0.0942
605 V A 0.0000
606 T A -0.4919
607 Y A -0.1098
608 G A 0.0000
609 L A 0.0000
610 N A 0.0000
611 T A 0.0000
612 F A 0.0000
613 T A 0.0000
614 N A 0.0000
615 M A 0.0000
616 K A 0.0000 mutated: EK616A
617 A A 0.0000
618 Q A 0.0000
619 L A 0.0000
620 I A 0.0000
621 R A 0.0000
622 Q A 0.0000
623 M A 0.0000
624 E A -0.9039
625 G A -0.8773
626 E A -0.8789
627 G A -1.1328
628 V A -0.6515
629 F A 0.0000
630 K A -2.4185
631 S A -2.1096
632 I A 0.0000
633 Q A -2.9381
634 Q A -3.2018
635 L A 0.0000
636 D A -2.3513 mutated: TD636A
637 A A -0.6780
638 T A -0.2051
639 E A -1.1356
640 E A -0.5162
641 I A 0.8749
642 A A 0.1090
643 V A 0.0000
644 K A -0.9008
645 N A -0.4927
646 W A 0.0000
647 L A 0.0000
648 V A 0.3402
649 R A -1.3839
650 V A -0.5658
651 G A 0.0000
652 R A -0.9600
653 E A -1.3353
654 R A 0.0000
655 L A 0.0000
656 S A -0.5902
657 R A 0.0000
658 M A 0.0000
659 A A 0.0000
660 I A 0.0000
661 S A 0.0000
662 G A 0.0000
663 D A -1.8679
664 D A -1.4434
665 C A 0.0000
666 V A 0.0000
667 V A 0.0000
668 K A -0.7533
669 P A 0.0000
670 L A 0.0000
671 D A 0.0000
672 D A -1.1086
673 R A -0.7870
674 F A 0.0000
675 A A 0.0000
676 S A -0.5538
677 A A 0.0000
678 L A 0.0000
679 T A -0.0116
680 A A 0.0000
681 L A 0.0000
682 N A 0.0000
683 D A 0.0000
684 M A 0.0000
685 G A 0.0000
686 K A 0.0000
687 V A -0.7378
688 R A 0.0000
689 K A -3.1785
690 D A -2.8762
691 I A -1.8256
692 Q A -2.0019
693 Q A -1.4706
694 W A -0.2706
695 E A -1.6317
696 P A -1.0250
697 S A 0.0000
698 R A -2.1713
699 G A -1.5051
700 W A -1.1418
701 N A -1.5533
702 D A -1.3590
703 W A -1.2548
704 T A -0.9909
705 Q A -1.0297
706 V A 0.0000
707 P A -0.6138
708 F A 0.0000
709 C A -0.0268
710 S A -0.4275
711 H A 0.0000
712 H A -0.5659
713 F A 0.0000
714 H A 0.0000
715 E A -0.6697
716 L A 0.0000
717 I A 1.0403
718 M A 0.0000
719 K A -2.5699
720 D A -2.5418
721 G A -1.1461
722 R A 0.0000
723 V A 0.6132
724 L A 0.0000
725 V A 0.0000
726 V A 0.0000
727 P A 0.0000
728 C A 0.0000
729 R A -0.9973
730 N A -1.2398
731 Q A 0.0000
732 D A -0.7380
733 E A -0.8005
734 L A 0.0000
735 I A 0.0000
736 G A 0.0000
737 R A -0.3019
738 A A 0.0000
739 R A 0.0000
740 I A 0.4427
741 S A 0.0000
742 Q A -0.4553
743 G A -0.2014
744 A A -0.0046
745 G A -0.1865
746 W A -0.1514
747 S A -0.4934
748 L A -0.2213
749 R A -1.6266
750 E A -1.2096
751 T A 0.0000
752 A A 0.0000
753 C A -0.0949
754 L A 0.0000
755 G A 0.0000
756 K A 0.0000
757 S A 0.0000
758 Y A 0.0000
759 A A 0.0000
760 Q A 0.0000
761 M A 0.0000
762 W A 0.0000
763 S A 0.0000
764 L A 0.0000
765 M A 0.0000
766 Y A 0.0000
767 F A 0.0000
768 H A 0.0000
769 R A 0.0000
770 R A -0.4234
771 D A 0.0000
772 L A 0.0000
773 R A 0.0000
774 L A 0.3906
775 A A 0.0000
776 A A 0.0000
777 N A 0.1923
778 A A 0.0000
779 I A 0.0000
780 C A 0.0838
781 S A 0.0000
782 A A 0.0000
783 V A 0.0000
784 P A 0.0000
785 S A -1.0399
786 H A -1.0244
787 W A -0.0265
788 V A 1.2772
789 P A 0.0000
790 T A -0.1773
791 S A -0.8187
792 R A -1.1243
793 T A 0.0000
794 T A 0.2692
795 W A 1.2057
796 S A 1.2529
797 I A 2.0686
798 H A 0.0000
799 A A 0.4415
800 T A -0.1046
801 H A -0.6585
802 E A -0.9253
803 W A 0.0000
804 M A 0.0602
805 T A -0.2630
806 T A -0.5097
807 E A -1.6178
808 D A -2.0962
809 M A -1.0653
810 L A -0.8580
811 T A -1.1299
812 V A 0.0000
813 W A 0.0000
814 N A -1.4097
815 R A -1.8989
816 V A 0.0000
817 W A 0.0000
818 I A 0.0000
819 Q A -3.1095
820 E A -2.7586
821 N A 0.0000
822 P A -1.2627
823 W A -0.5621
824 M A 0.0000
825 E A -2.7103
826 D A -2.6001
827 K A -2.8068
828 T A -1.8229
829 P A -1.4866
830 V A 0.0000
831 E A -2.3060
832 S A -1.6903
833 W A -1.1124
834 E A -2.4974
835 E A -2.5599
836 I A 0.0000
837 P A -0.5327
838 Y A -0.3373
839 L A 0.0000
840 E A -2.7969 mutated: GE840A
841 K A -2.9180
842 R A -3.0368
843 E A -2.1793
844 D A 0.0000
845 Q A -1.3184
846 W A -0.2396
847 C A 0.0000
848 G A -0.5892
849 S A 0.0000
850 L A 0.4260
851 I A -0.0805
852 G A -0.0240
853 L A 0.6919
854 T A 0.2819
855 S A -0.3320
856 R A 0.0000
857 A A -0.3742
858 T A -0.7659
859 W A 0.0000
860 A A -1.0786
861 K A -2.1449
862 N A -1.6541
863 I A 0.0000
864 Q A -2.1344
865 T A -1.6348
866 A A -1.3711
867 I A 0.0000
868 N A -1.9275
869 Q A -1.3335
870 V A 0.0000
871 R A -1.1975
872 S A -0.6007
873 L A 0.9813
874 I A -0.1230
875 G A -0.8762
876 N A -2.0058
877 E A -2.5436
878 E A -2.6592
879 Y A -1.5937
880 T A -0.9085
881 D A -1.0459
882 Y A 0.7798
883 M A 0.8589
7 E B -2.0416
8 T B -1.1254
9 L B -0.9103
10 G B 0.0000
11 E B -1.7135
12 K B -2.2251
13 W B 0.0000
14 K B 0.0000
15 N B -2.7736
16 R B -2.6691
17 L B 0.0000
18 N B -1.8583
19 A B -1.4021
20 L B -1.2655
21 G B -1.3197
22 K B -2.0884
23 S B -1.5518
24 E B -1.7911
25 F B -1.0997
26 Q B -1.4401
27 I B -1.5869
28 Y B 0.0000
29 K B -1.0144
30 K B -1.6665
31 S B 0.0000
32 G B -1.7789
33 I B 0.0000
34 Q B -0.4462
35 E B 0.0000
36 V B 0.0000
37 D B -1.4052
38 R B 0.0000
39 T B -0.8371
40 L B -0.0906
41 A B 0.0000
42 K B -2.9529
43 E B -3.2353
44 G B 0.0000
45 I B -2.5788
46 K B -3.6280
47 R B -3.6595
48 G B -2.6686
49 E B -2.4698
50 T B -1.3400
51 D B -1.6449
52 H B -1.9091
53 H B -1.5479
54 A B 0.0000
55 V B 0.0000
56 S B -0.9212
57 R B -1.1446
58 G B -0.7384
59 S B 0.0000
60 A B 0.0000
61 K B -0.5058
62 L B 0.0000
63 R B -1.1869
64 W B -1.1490
65 F B 0.0000
66 V B -1.7121
67 E B -2.9827
68 R B -3.2019
69 N B -2.6859
70 L B -1.4745
71 V B 0.0000
72 T B -1.4723
73 P B 0.0000
74 E B -2.9282
75 G B -2.6485
76 K B -2.6610
77 V B 0.0000
78 V B 0.0000
79 D B 0.0000
80 L B 0.0000
81 G B -1.0074
82 C B 0.0000
83 G B -2.0750
84 R B -1.7666
85 G B 0.0000
86 G B 0.0000
87 W B 0.0000
88 S B 0.0000
89 Y B 0.0000
90 Y B 0.0000
91 C B 0.0000
92 G B 0.0000
93 G B -0.5604
94 L B -1.2296
95 K B -2.3668
96 N B -2.5173
97 V B 0.0000
98 K B -3.0919
99 E B -3.2218
100 V B 0.0000
101 K B -1.5172
102 G B 0.0000
103 L B 0.0000
104 T B 0.0000
105 K B -2.6748
106 G B -2.4659
107 G B -1.8590
108 P B -1.5647
109 G B -1.8341
110 H B -3.0577
111 E B -3.6428
112 E B -3.3237
113 P B -1.9883
114 I B -0.8496
115 P B -0.7426
116 M B 0.0000
117 S B 0.0000
118 T B 0.0000
119 Y B -0.1827
120 G B 0.0000
121 W B 0.0000
122 N B -0.9703
123 L B -1.3753
124 V B 0.0000
125 R B -2.5202
126 L B -1.4376
127 Q B -1.7420
128 S B -1.9104
129 G B -1.5655
130 V B -0.6585
131 D B -0.3956
132 V B 0.0000
133 F B 0.6879
134 F B 1.2446
135 T B 0.4057
136 P B -0.2995
137 P B -1.1187
138 E B -1.7220
139 K B -2.5384
140 C B 0.0000
141 D B -3.2053
142 T B 0.0000
143 L B 0.0000
144 L B 0.0000
145 C B 0.0000
146 D B -0.7717
147 I B -0.5056
148 G B -1.0787
149 E B -1.9832
150 S B -1.2439
151 S B 0.0000
152 P B -0.9585
153 N B -0.9395
154 P B -0.5357
155 T B -0.3157
156 V B 0.0000
157 E B 0.0000
158 A B 0.0000
159 G B 0.0000
160 R B -0.7436
161 T B 0.0000
162 L B -0.3934
163 R B -0.5630
164 V B 0.0000
165 L B 0.0000
166 N B -1.2609
167 L B 0.0000
168 V B 0.0000
169 E B -1.7390
170 N B -2.0322
171 W B 0.0000
172 L B 0.0000
173 N B -3.1353
174 N B -2.9391
175 N B -2.6296
176 T B 0.0000
177 Q B -1.5961
178 F B 0.0000
179 C B 0.0000
180 I B 0.0000
181 K B -0.3032
182 V B 0.0000
183 L B 0.0000
184 N B 0.0000
185 P B 0.0000
186 Y B 0.0000
187 M B -0.4152
188 P B -0.6519
189 S B -0.7653
190 V B 0.0000
191 I B -0.9522
192 E B -2.2891
193 K B -1.8628
194 M B 0.0000
195 E B -2.9729
196 A B -2.3222
197 L B 0.0000
198 Q B -2.4922
199 R B -3.2241
200 K B -3.2464
201 Y B -2.3633
202 G B -1.6948
203 G B 0.0000
204 A B 0.0000
205 L B 0.0000
206 V B 0.1256
207 R B 0.0194
208 N B 0.0000
209 P B -0.2640
210 L B 0.0000
211 S B 0.0000
212 R B -0.7525
213 N B 0.0000
214 S B -0.5017
215 T B -0.2492
216 H B 0.0000
217 E B 0.0000
218 M B 0.0000
219 Y B 0.0000
220 W B 0.0000
221 V B 0.0000
222 S B -0.7856
223 N B -1.2061
224 A B -0.8047
225 S B -0.8332
226 G B -1.0617
227 N B -1.5680
228 I B 0.0000
229 V B 0.0950
230 S B -0.0959
231 S B -0.0387
232 V B 0.0000
233 N B -0.0019
234 M B 0.5084
235 I B 0.0000
236 S B 0.0000
237 R B -1.3613
238 M B -0.7126
239 L B 0.0000
240 I B -1.0662
241 N B -1.7627
242 R B -1.7528
243 F B 0.0000
244 T B -1.1358
245 M B -1.6318
246 R B -3.1507
247 H B -3.1500
248 K B -3.5480
249 K B -2.9246
250 A B 0.0000
251 T B -0.3517
252 Y B 0.3750
253 E B -0.2730
254 P B -0.8541
255 D B -1.0980
256 V B 0.0000
257 D B -2.2913
258 L B 0.0000
259 G B -1.1353
260 S B 0.0000
261 G B 0.0000
262 T B 0.0000
263 R B 0.0000
264 N B -1.0489
265 I B -1.0359
266 G B -0.6825
267 I B -0.1108
268 E B -1.5473
269 S B -1.1195
270 E B 0.0000
271 T B -0.4681
272 P B -0.3927
273 N B -0.8475
274 L B -0.1286
275 D B -1.6467
276 I B -1.0120
277 I B 0.0000
278 G B -1.4583
279 K B -2.3571
280 R B 0.0000
281 I B 0.0000
282 E B -3.6516
283 K B -3.0441
284 I B 0.0000
285 K B -3.5818
286 Q B -3.8547
287 E B -3.6918
288 H B -3.2364
289 E B -3.3926
290 T B -1.8223
291 S B -1.3867
292 W B -1.3715
293 H B -0.2854
294 Y B 0.8296
295 D B 0.0000
296 Q B -1.1594
297 D B -0.9695
298 H B 0.0000
299 P B -0.6508
300 Y B 0.0000
301 K B -1.2538
302 T B 0.0000
303 W B 0.0000
304 A B 0.0000
305 Y B -0.2178
306 H B -0.1490
307 G B 0.0000
308 S B 0.0000
309 Y B 0.0000
310 E B -2.6673
311 T B -2.1187
312 K B -2.7215
313 Q B -2.4136
314 T B -1.2513
315 G B -0.8419
316 S B -0.5595
317 A B -0.5635
318 S B -0.1420
319 S B 0.3783
320 M B 1.1187
321 V B 1.5645
322 N B 0.0000
323 G B 0.0402
324 V B 0.0000
325 V B 0.0000
326 R B -1.3043
327 L B -0.9549
328 L B 0.0000
329 T B 0.0000
330 K B -1.7535
331 P B 0.0000
332 W B 0.0000
333 D B -0.2169
334 V B 1.4275
335 I B 0.6346
336 P B 0.0826
337 M B 0.1052
338 V B 0.0000
339 T B -0.2114
340 Q B -1.3637
341 M B 0.0000
342 A B -0.6543
343 M B 0.0000
344 T B 0.0000
345 D B -1.0836
346 T B 0.0000
347 T B -0.4867
348 P B 0.0000
349 F B 0.0358
350 G B 0.0000
351 Q B 0.0000
352 Q B 0.0000
353 R B -1.1127
354 V B -1.2973
355 F B 0.0000
356 K B -1.5831
357 E B -2.5891
358 K B -2.1252
359 V B 0.0000
360 D B 0.0000
361 T B -1.7562
362 R B -2.6054
363 T B -1.9677
364 Q B -2.6405
365 E B -3.0117
366 P B 0.0000
367 K B -2.9047
368 E B -3.3801
369 G B 0.0000
370 T B 0.0000
371 K B -2.1391
372 K B -1.8631
373 L B 0.0000
374 M B 0.0000
375 K B -1.7750
376 I B 0.0000
377 T B 0.0000
378 A B 0.0000
379 E B -2.4948
380 W B -1.3956
381 L B 0.0000
382 W B 0.0000
383 K B -2.9788
384 E B 0.0000
385 L B 0.0000
386 G B -2.2431
387 K B -3.1215
388 K B -3.0798
389 K B -2.2152
390 T B -1.2222
391 P B -0.8274
392 R B -0.9364
393 M B -0.2597
394 C B 0.0000
395 T B -1.2455
396 R B -1.8061
397 E B -2.8749
398 E B -2.2925
399 F B 0.0000
400 T B -3.0815
401 R B -3.6344
402 K B -2.6090
403 V B 0.0000
404 R B -3.4757
405 S B -2.2997
406 N B -2.3709
407 A B -1.3374
408 A B -0.1698
409 L B 0.0000
410 G B -0.1766
411 A B 0.0000
412 I B 0.5974
413 F B -0.2076
414 T B -1.8600
415 D B -2.3547
416 E B -3.3624
417 N B -3.5777
418 K B -3.4571
419 W B 0.0000
420 K B -3.2477
421 S B -2.1650
422 A B -1.8459
423 R B -3.5314
424 E B -3.1589
425 A B 0.0000
426 V B 0.0000
427 E B -3.0844
428 D B -2.4587
429 S B -1.4523
430 G B -1.4538
431 F B 0.0000
432 W B -1.6137
433 E B -2.4264
434 L B -1.2074
435 V B 0.0000
436 D B -2.4429
437 K B -2.7965
438 E B 0.0000
439 R B -1.9867
440 N B -2.5167
441 L B -1.9285
442 H B 0.0000
443 L B -2.0069
444 E B -2.4702
445 G B -1.9159
446 K B -1.9199
447 C B 0.0000
448 E B -1.2607
449 T B -0.5368
450 C B 0.0000
451 V B 0.0000
452 Y B 0.0000
453 N B 0.1311
454 M B 0.0000
455 M B -0.0154
456 G B -0.5397
457 K B -0.7380
458 R B -0.8000
459 E B -0.8740
460 K B 0.0000
461 K B -1.0347
462 L B -0.7175
463 G B -1.4291
466 G B -1.5790
467 K B -2.3777
468 A B -1.7817
469 K B -1.9467
470 G B -1.2877
471 S B 0.0000
472 R B -1.2871
473 A B 0.0000
474 I B 0.1166
475 W B 0.2309
476 Y B 0.5414
477 M B 0.0000
478 W B 0.0000
479 L B 0.0000
480 G B 0.0000
481 A B 0.0000
482 R B 0.0000
483 F B 0.0000
484 L B 0.0000
485 E B 0.0000
486 F B 0.0000
487 E B 0.0000
488 A B 0.0000
489 L B 0.0000
490 G B 0.0000
491 F B 0.0000
492 L B 0.0000
493 N B -1.1019
494 E B -1.2672
495 D B -1.4576
496 H B -1.8488
497 W B 0.0000
498 F B 0.0000
499 S B 0.0000
500 R B -1.3401
501 E B -2.1928
502 N B 0.0000
503 S B 0.0000
504 L B -0.7320
505 S B 0.0000
506 G B 0.0000
507 V B 0.0000
508 E B -0.7073
509 G B -0.6255
510 E B -0.3909
511 G B 0.0000
512 L B 0.0000
513 H B 0.0000
514 K B -0.3138
515 L B 0.0000
516 G B 0.0000
517 Y B 0.0000
518 I B 0.0000
519 L B 0.0000
520 R B -1.6089
521 D B -1.5803
522 V B 0.0000
523 S B -1.8331
524 K B -2.4929
525 K B -2.0544
526 E B -1.4172
527 G B -0.9500
528 G B -0.8316
529 A B -1.0925
530 M B 0.0000
531 Y B 0.0000
532 A B 0.0000
533 D B -2.0784
534 D B -2.9776
535 T B -1.9954
536 A B -1.6113
537 G B -1.0723
538 W B 0.0000
539 D B -0.6882
540 T B 0.0000
541 R B -0.7184
542 I B 0.0000
543 T B 0.0000
544 L B -0.5790
545 E B -1.0799
546 D B 0.0000
547 L B 0.0000
548 K B -1.7645
549 N B 0.0000
550 E B 0.0000
551 E B -1.2403
552 M B -1.5086
553 V B 0.0000
554 T B -1.6757
555 N B -2.3497
556 H B -1.7778
557 M B 0.0000
558 E B -3.1245
559 G B -2.4422
560 E B -2.5544
561 H B 0.0000
562 K B -2.9506
563 K B -3.1021
564 L B 0.0000
565 A B 0.0000
566 E B -2.2400
567 A B 0.0000
568 I B 0.0000
569 F B 0.0000
570 K B -1.3093
571 L B 0.0000
572 T B 0.0000
573 Y B 0.0000
574 Q B 0.0000
575 N B 0.0000
576 K B 0.0000
577 V B 0.0000
578 V B 0.0000
579 R B -0.2063
580 V B 0.0000
581 Q B -0.8238
582 R B 0.0000
583 P B -0.6148
584 T B 0.0000
585 P B -1.3752
586 R B -2.3461
587 G B -2.0235
588 T B -1.8401
589 V B 0.0000
590 M B -0.8744
591 D B 0.0000
592 I B 0.0000
593 I B 0.0000
594 S B 0.0000
595 R B 0.0000
596 R B -0.6183
597 D B -0.7419
598 Q B 0.0000
599 R B 0.0000
600 G B 0.0000
601 S B 0.0000
602 G B 0.0000
603 Q B -0.2600
604 V B 0.2579
605 V B 0.0000
606 T B -0.1479
607 Y B 0.1513
608 G B 0.0000
609 L B 0.0000
610 N B 0.0000
611 T B 0.0000
612 F B 0.0000
613 T B 0.0000
614 N B 0.0000
615 M B 0.0000
616 E B 0.0000
617 A B 0.0000
618 Q B 0.0000
619 L B 0.0000
620 I B 0.0000
621 R B 0.0000
622 Q B 0.0000
623 M B 0.0000
624 E B -0.9065
625 G B -0.9130
626 E B -0.9032
627 G B -1.1193
628 V B -0.5848
629 F B 0.0000
630 K B -2.1815
631 S B -1.8775
632 I B 0.0000
633 Q B -2.7999
634 Q B -2.8845
635 L B 0.0000
636 T B -0.5615
637 A B 0.2233
638 T B 0.4971
639 E B 0.0000
640 E B -0.0094
641 I B 1.1948
642 A B 0.4100
643 V B 0.0000
644 K B -0.9001
645 N B -0.4429
646 W B 0.0000
647 L B 0.0000
648 V B 0.3283
649 R B -1.3927
650 V B -0.5805
651 G B 0.0000
652 R B -1.1945
653 E B -1.4733
654 R B 0.0000
655 L B 0.0000
656 S B -0.7196
657 R B 0.0000
658 M B 0.0000
659 A B 0.0000
660 I B 0.0000
661 S B 0.0000
662 G B 0.0000
663 D B -1.7826
664 D B -1.4314
665 C B 0.0000
666 V B 0.0000
667 V B 0.0000
668 K B -0.7912
669 P B 0.0000
670 L B 0.0000
671 D B 0.0000
672 D B -1.2145
673 R B -0.8669
674 F B 0.0000
675 A B 0.0000
676 S B -0.6412
677 A B 0.0000
678 L B 0.0000
679 T B -0.0754
680 A B 0.0000
681 L B 0.0000
682 N B 0.0000
683 D B 0.0000
684 M B 0.0000
685 G B 0.0000
686 K B 0.0000
687 V B -0.6535
688 R B 0.0000
689 K B -3.0288
690 D B -2.7929
691 I B -1.6559
692 Q B -1.7553
693 Q B -1.1127
694 W B 0.0192
695 E B -1.2606
696 P B -0.8861
697 S B 0.0000
698 R B -2.2177
699 G B -1.4851
700 W B -1.2045
701 N B -1.8152
702 D B -1.5034
703 W B -1.2959
704 T B -1.0112
705 Q B -1.0833
706 V B 0.0000
707 P B -0.6231
708 F B 0.0000
709 C B -0.0258
710 S B -0.3684
711 H B 0.0000
712 H B -0.5184
713 F B 0.0000
714 H B 0.0000
715 E B -0.4255
716 L B 0.0000
717 I B 1.2800
718 M B 0.0000
719 K B -2.5929
720 D B -2.5754
721 G B -1.1925
722 R B -0.8061
723 V B 0.7443
724 L B 0.0000
725 V B 0.0000
726 V B 0.0000
727 P B 0.0000
728 C B 0.0000
729 R B -0.6917
730 N B -0.7534
731 Q B 0.0000
732 D B -0.5526
733 E B -0.7077
734 L B 0.0000
735 I B 0.0000
736 G B 0.0000
737 R B -0.4149
738 A B 0.0000
739 R B 0.0000
740 I B 0.0000
741 S B 0.0000
742 Q B -0.2997
743 G B 0.0810
744 A B 0.1371
745 G B -0.3866
746 W B -0.3870
747 S B -0.7602
748 L B -0.5398
749 R B -1.7387
750 E B -1.7262
751 T B -0.7095
752 A B 0.0000
753 C B -0.2676
754 L B 0.0000
755 G B 0.0000
756 K B 0.0000
757 S B 0.0000
758 Y B 0.0000
759 A B 0.0000
760 Q B 0.0000
761 M B 0.0000
762 W B 0.0000
763 S B 0.0000
764 L B 0.0000
765 M B 0.0000
766 Y B 0.0000
767 F B 0.0000
768 H B 0.0000
769 R B 0.0000
770 R B -0.2904
771 D B 0.0000
772 L B 0.0000
773 R B 0.0000
774 L B 0.3975
775 A B 0.0000
776 A B 0.0000
777 N B 0.1723
778 A B 0.0000
779 I B 0.0000
780 C B 0.0834
781 S B 0.0000
782 A B 0.0000
783 V B 0.0000
784 P B 0.0000
785 S B -0.8974
786 H B -1.0914
787 W B -0.0319
788 V B 1.2726
789 P B 0.0000
790 T B -0.3536
791 S B -1.1588
792 R B -1.7563
793 T B 0.0000
794 T B -0.1291
795 W B 0.6874
796 S B 0.9955
797 I B 2.1049
798 H B 0.0000
799 A B 0.2013
800 T B -0.2282
801 H B -0.9443
802 E B -1.3698
803 W B 0.0000
804 M B -0.2431
805 T B -0.5458
806 T B -0.9941
807 E B -2.6402
808 D B -2.5746
809 M B -1.4057
810 L B -1.0416
811 T B -1.4277
812 V B 0.0000
813 W B 0.0000
814 N B 0.0000
815 R B -2.4826
816 V B 0.0000
817 W B 0.0000
818 I B 0.0000
819 Q B -3.2373
820 E B -2.8628
821 N B 0.0000
822 P B -1.0360
823 W B -0.3890
824 M B 0.0000
825 E B -2.7639
826 D B -2.8055
827 K B -2.8932
828 T B -1.8737
829 P B -1.5450
830 V B 0.0000
831 E B -2.2801
832 S B -1.6826
833 W B -1.2244
834 E B -2.4866
835 E B -2.5602
836 I B 0.0000
837 P B -0.3011
838 Y B 0.0300
839 L B 0.0000
840 G B -1.7187
841 K B -2.6463
842 R B -2.8462
843 E B -1.9336
844 D B 0.0000
845 Q B -1.2151
846 W B -0.1143
847 C B 0.0000
848 G B -0.3419
849 S B 0.0000
850 L B 0.4386
851 I B -0.1534
852 G B -0.0850
853 L B 0.7053
854 T B 0.2859
855 S B -0.3539
856 R B 0.0000
857 A B -0.3899
858 T B -0.7967
859 W B 0.0000
860 A B -1.1123
861 K B -2.2047
862 N B -1.7767
863 I B 0.0000
864 Q B -2.2355
865 T B -1.7468
866 A B -1.4960
867 I B 0.0000
868 N B -2.0939
869 Q B -1.5867
870 V B 0.0000
871 R B -1.3313
872 S B -0.7425
873 L B 0.7546
874 I B 0.0000
875 G B -1.0446
876 N B -1.9358
877 E B -2.4011
878 E B -2.5461
879 Y B -1.4820
880 T B -0.8845
881 D B -1.0415
882 Y B 0.7668
883 M B 0.8577
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018