Project name: MeFDH1

Status: done

Started: 2024-06-16 11:55:30
Settings
Chain sequence(s) A: TIAFEFDGQQVEAQETIWAVAKRLGTHIPHLCHKPDPGYRPDGNCRACMVEIEGERVLAASCKRTPAIGMKVKSATERATKARAMVLELLVADQPERATSHDPSSHFWVQADVLDVTESRFPAAERWTSDVSHPAMSVNLDACIQCNLCVRACREVQVNDVIGMAYRAAGSKVVFDFDDPMGGSTCVACGECVQACPTGALMPAAYLDANQTRTVYPDREVKSLCPYCGVGCQVSYKVKDERIVYAEGVNGPANQNRLCVKGRFGFDYVHHPHRLTVPLIRLENVPKDANDQVDPANPWTHFREATWEEALDRAAGGLKAIRDTNGRKALAGFGSAKGSNEEAYLFQKLVRLGFGTNNVDHCTRLCHASSVAALMEGLNSGAVTAPFSAALDAEVIVVIGANPTVNHPVAATFLKNAVKQRGAKLIIMDPRRQTLSRHAYRHLAFRPGSDVAMLNAMLNVIVTEGLYDEQYIAGYTENFEALREKIVDFTPEKMASVCGIDAETLREVARLYARAKSSLIFWGMGVSQHVHGTDNSRCLIALALITGQIGRPGTGLHPLRGQNNVQGASDAGLIPMVYPDYQSVEKDAVRELFEEFWGQSLDPQKGLTVVEIMRAIHAGEIRGMFVEGENPAMSDPDLNHARHALAMLDHLVVQDLFLTETAFHADVVLPASAFAEKAGTFTNTDRRVQIAQPVVAPPGDARQDWWIIQELARRLDLDWNYGGPADIFAEMAQVMPSLNNITWERLEREGAVTYPVDAPDQPGNEIIFYAGFPTESGRAKIVPAAIVPPDEVPDDEFPMVLSTGRVLEHWHTGSMTRRAGVLDALEPEAVAFMAPKELYRLGLRPGGSMRLETRRGAVVLKVRSDRDVPIGMIFMPFCYAEAAANLLTNPALDPLGKIPEFKFCAARVVPA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:42)
Show buried residues

Minimal score value
-3.9397
Maximal score value
1.5208
Average score
-0.6482
Total score value
-590.4661

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
69 T A -0.4568
70 I A -0.0267
71 A A -0.6580
72 F A 0.0000
73 E A -2.3250
74 F A 0.0000
75 D A -1.9648
76 G A -1.9352
77 Q A -2.3630
78 Q A -2.5631
79 V A 0.0000
80 E A -2.1017
81 A A 0.0000
82 Q A -1.8121
85 E A -1.5738
86 T A -1.4306
87 I A 0.0000
88 W A 0.0000
89 A A -1.3783
90 V A 0.0000
91 A A 0.0000
92 K A -1.9669
93 R A -2.2008
94 L A -1.0599
95 G A -1.1957
96 T A -1.0101
97 H A -0.8830
98 I A 0.0000
99 P A 0.0000
100 H A 0.0000
101 L A 0.0000
102 C A 0.0000
103 H A -1.5533
104 K A -1.4489
105 P A -1.5282
106 D A -2.4237
107 P A -1.8313
108 G A -1.9294
109 Y A 0.0000
110 R A -2.9666
111 P A -2.2818
112 D A -2.2582
113 G A -2.2298
114 N A -2.1110
115 C A -1.2285
116 R A -1.6507
117 A A 0.0000
118 C A 0.0000
119 M A 0.0000
120 V A 0.0000
121 E A -1.7945
122 I A 0.0000
123 E A -2.9362
124 G A -2.3222
125 E A -2.3839
126 R A -1.9347
127 V A 0.3316
128 L A -0.1572
129 A A -0.6185
130 A A 0.0000
131 S A 0.0000
132 C A 0.0000
133 K A -3.0238
134 R A -2.3413
135 T A -1.4140
136 P A 0.0000
137 A A 0.6351
138 I A 1.5208
139 G A 0.2733
140 M A -0.5943
141 K A -2.2987
142 V A 0.0000
143 K A -2.2959
144 S A 0.0000
145 A A -1.2851
146 T A -2.1008
147 E A -3.3347
148 R A -3.3982
149 A A 0.0000
150 T A -2.0303
151 K A -2.7597
152 A A -1.5326
153 R A 0.0000
154 A A -0.3730
155 M A 0.1889
156 V A 0.3982
157 L A 0.0000
158 E A 0.0000
159 L A 1.1302
160 L A 0.8960
161 V A 0.0000
162 A A -0.5427
163 D A -0.8334
164 Q A -0.8273
165 P A -1.3921
166 E A -2.4162
167 R A -1.5807
168 A A -0.8914
169 T A -1.0179
170 S A 0.0000
171 H A 0.0000
172 D A -0.5084
173 P A -0.6510
174 S A -0.1471
175 S A 0.0000
176 H A -0.1791
177 F A 0.0000
178 W A 0.0000
179 V A 0.4845
180 Q A 0.0000
181 A A 0.0000
182 D A -1.4341
183 V A 0.0474
184 L A -0.6679
185 D A -2.0594
186 V A -1.2795
187 T A -1.7120
188 E A -2.4433
189 S A -1.3143
190 R A -1.7497
191 F A -0.1866
192 P A -0.3794
193 A A -0.5625
194 A A -1.0368
195 E A -2.1083
196 R A -1.4374
197 W A -0.6455
198 T A -0.3581
199 S A -0.1876
200 D A 0.2299
201 V A 1.3342
202 S A 0.2551
203 H A 0.0000
204 P A 0.2156
205 A A 0.0000
206 M A 0.0000
207 S A 0.0000
208 V A 0.0000
209 N A 0.0000
210 L A 0.0000
211 D A -1.0331
212 A A 0.0000
213 C A 0.0000
214 I A 0.0000
215 Q A -0.3678
216 C A 0.0000
217 N A -0.4368
218 L A 0.0000
219 C A 0.0000
220 V A -0.4665
221 R A 0.0000
222 A A 0.0000
223 C A 0.0000
224 R A -1.9721
225 E A -2.9675
226 V A 0.0000
227 Q A 0.0000
228 V A 0.0000
229 N A -0.8152
230 D A -1.0348
231 V A 0.0000
232 I A 0.0000
233 G A 0.0827
234 M A 0.1015
235 A A 0.3130
236 Y A 0.3635
237 R A -1.2496
238 A A -0.6741
239 A A -0.4197
240 G A -0.5403
241 S A -0.4175
242 K A -0.3370
243 V A 0.0000
244 V A 0.0000
245 F A 0.0000
246 D A -0.3008
247 F A 0.9594
248 D A -0.4734
249 D A -1.0260
250 P A -0.7237
251 M A 0.0000
252 G A -0.4437
253 G A -0.9972
254 S A -0.5458
255 T A -0.3505
256 C A 0.0439
257 V A 0.6240
258 A A 0.0000
259 C A 0.0000
260 G A 0.0000
261 E A 0.0000
262 C A 0.0000
263 V A 0.0000
264 Q A -0.3013
265 A A 0.0000
266 C A -0.0707
267 P A 0.0000
268 T A 0.0000
269 G A 0.0000
270 A A 0.0000
271 L A 0.0000
272 M A 0.0000
273 P A 0.0000
274 A A 0.1501
275 A A -0.0255
276 Y A 0.0000
277 L A -0.7221
278 D A -1.4625
279 A A -0.9243
280 N A -1.7083
281 Q A -0.9748
282 T A -0.9972
283 R A -0.5986
284 T A -0.1739
285 V A 0.0474
286 Y A -0.1233
287 P A -2.1525
288 D A -3.3884
289 R A -2.9118
290 E A -2.8724
291 V A -1.6446
292 K A -1.7230
293 S A 0.0000
294 L A 0.0000
295 C A 0.0000
296 P A 0.0000
297 Y A 0.0000
298 C A 0.0000
299 G A 0.0000
300 V A 0.0000
301 G A 0.0000
302 C A 0.0000
303 Q A 0.0000
304 V A 0.0000
305 S A -1.2705
306 Y A 0.0000
307 K A -2.1863
308 V A 0.0000
309 K A -3.4822
310 D A -3.9074
311 E A -3.9397
312 R A -3.3823
313 I A 0.0000
314 V A -0.8135
315 Y A 0.0000
316 A A 0.0000
317 E A -0.7780
318 G A 0.0000
319 V A -0.9032
320 N A -1.6846
321 G A 0.0000
322 P A -0.5706
323 A A 0.0000
324 N A 0.0000
325 Q A -1.3992
326 N A -1.1930
327 R A 0.0000
328 L A 0.0000
329 C A 0.0000
330 V A 0.0000
331 K A 0.0000
332 G A 0.0000
333 R A 0.0000
334 F A 0.0000
335 G A 0.0000
336 F A 0.0000
337 D A -0.6730
338 Y A 0.0000
339 V A 0.0000
340 H A -0.8956
341 H A -0.6863
342 P A -0.5562
343 H A -0.6498
344 R A 0.0000
345 L A 0.0000
346 T A -0.7992
347 V A -0.5965
348 P A 0.0000
349 L A 0.0000
350 I A 0.0000
351 R A 0.0000
352 L A -1.0751
353 E A -2.2938
354 N A -1.9518
355 V A -1.0625
356 P A -1.2716
357 K A -2.0201
358 D A -2.8631
359 A A -2.5691
360 N A -2.8113
361 D A -2.6180
362 Q A -2.3832
363 V A 0.0000
364 D A -1.4239
365 P A -0.8263
366 A A -0.5512
367 N A -0.6261
368 P A -0.4392
369 W A 0.3414
370 T A 0.1758
371 H A -0.4776
372 F A 0.0000
373 R A -1.2797
374 E A -1.7863
375 A A -1.3169
376 T A -1.3256
377 W A -1.7252
378 E A -2.6080
379 E A -2.4331
380 A A 0.0000
381 L A 0.0000
382 D A -3.1306
383 R A -2.8748
384 A A 0.0000
385 A A 0.0000
386 G A -1.6480
387 G A -1.4048
388 L A 0.0000
389 K A -1.9960
390 A A -1.2822
391 I A 0.0000
392 R A -2.6404
393 D A -2.6523
394 T A -1.7867
395 N A -2.5350
396 G A -2.8296
397 R A -3.2833
398 K A -3.0633
399 A A 0.0000
400 L A 0.0000
401 A A 0.0000
402 G A 0.0000
403 F A 0.0000
404 G A 0.0000
405 S A 0.0000
406 A A 0.0000
407 K A -0.3125
408 G A 0.0000
409 S A 0.0000
410 N A 0.0000
411 E A 0.0000
412 E A 0.0000
413 A A 0.0000
414 Y A 0.0000
415 L A 0.0000
416 F A 0.0000
417 Q A 0.0000
418 K A 0.0000
419 L A 0.0000
420 V A 0.0000
421 R A 0.0000
422 L A 0.0000
423 G A 0.0000
424 F A 0.0000
425 G A -1.0676
426 T A 0.0000
427 N A 0.0000
428 N A 0.0000
429 V A 0.0000
430 D A 0.0000
431 H A 0.0000
432 C A 0.0000
433 T A 0.0000
434 R A 0.0000
435 L A 0.0000
436 C A 0.1345
437 H A 0.0000
438 A A 0.0000
439 S A 0.0000
440 S A 0.0000
441 V A 0.2378
442 A A 0.1521
443 A A 0.0000
444 L A 0.0000
445 M A -0.3420
446 E A -0.7207
447 G A 0.0000
448 L A 0.0000
449 N A -1.3618
450 S A 0.0000
451 G A -0.1073
452 A A -0.0109
453 V A 0.0000
454 T A 0.0000
455 A A 0.0000
456 P A 0.0000
457 F A 0.0000
458 S A -0.3479
459 A A 0.0000
460 A A 0.0000
461 L A -1.0916
462 D A -2.0315
463 A A 0.0000
464 E A -1.9355
465 V A 0.0000
466 I A 0.0000
467 V A 0.0000
468 V A 0.0000
469 I A 0.0000
470 G A 0.0000
471 A A 0.0000
472 N A -0.3468
473 P A 0.0000
474 T A 0.0948
475 V A 0.2222
476 N A -0.1287
477 H A 0.0000
478 P A 0.0000
479 V A 0.0000
480 A A 0.0000
481 A A 0.0000
482 T A 0.0000
483 F A 0.0000
484 L A 0.0000
485 K A 0.0000
486 N A -1.7035
487 A A 0.0000
488 V A -1.4700
489 K A -2.7715
490 Q A -2.9390
491 R A -3.1919
492 G A -1.9578
493 A A 0.0000
494 K A -0.9307
495 L A 0.0000
496 I A 0.0000
497 I A 0.0000
498 M A 0.0000
499 D A 0.0000
500 P A -1.1570
501 R A -1.4633
502 R A -2.1871
503 Q A 0.0000
504 T A -0.9817
505 L A 0.0000
506 S A -1.3582
507 R A -2.0115
508 H A -1.1367
509 A A -0.4795
510 Y A 0.1405
511 R A -0.5074
512 H A -0.6371
513 L A 0.0000
514 A A -0.9935
515 F A 0.0000
516 R A -1.9961
517 P A -1.0966
518 G A -0.2341
519 S A 0.0000
520 D A 0.0000
521 V A 0.0000
522 A A 0.0000
523 M A 0.0000
524 L A 0.0000
525 N A 0.0000
526 A A 0.0000
527 M A 0.0000
528 L A 0.0000
529 N A 0.0000
530 V A 0.0000
531 I A 0.0000
532 V A 0.0000
533 T A -0.4623
534 E A -1.1519
535 G A -1.0559
536 L A -1.1816
537 Y A -1.2636
538 D A -2.0600
539 E A -2.6398
540 Q A -2.1178
541 Y A -1.0832
542 I A -1.0993
543 A A -0.9824
544 G A -0.6018
545 Y A -0.1907
546 T A 0.0000
547 E A -1.7685
548 N A -1.9806
549 F A 0.0000
550 E A -3.2712
551 A A -2.5314
552 L A 0.0000
553 R A -2.9850
554 E A -3.4642
555 K A -2.9562
556 I A 0.0000
557 V A -0.3080
558 D A -1.6228
559 F A -0.8045
560 T A -1.0633
561 P A 0.0000
562 E A -3.0553
563 K A -2.6144
564 M A 0.0000
565 A A -1.9349
566 S A -1.3037
567 V A -0.4265
568 C A 0.0000
569 G A -1.3699
570 I A 0.0000
571 D A -2.9937
572 A A -2.8660
573 E A -2.9336
574 T A -1.9368
575 L A 0.0000
576 R A -1.9679
577 E A -1.6040
578 V A 0.0000
579 A A 0.0000
580 R A -1.7077
581 L A -1.3324
582 Y A 0.0000
583 A A -1.3977
584 R A -2.5223
585 A A 0.0000
586 K A -2.5155
587 S A 0.0000
588 S A 0.0000
589 L A 0.0000
590 I A 0.0000
591 F A 0.0000
592 W A 0.0000
593 G A 0.0000
594 M A 0.0192
595 G A -0.1347
596 V A 0.0000
597 S A 0.0000
598 Q A 0.0000
599 H A 0.0000
600 V A -0.0916
601 H A 0.0000
602 G A 0.0000
603 T A 0.0000
604 D A 0.1330
605 N A 0.0000
606 S A 0.0000
607 R A -0.4278
608 C A 0.0000
609 L A 0.0000
610 I A 0.0000
611 A A 0.0000
612 L A 0.0000
613 A A 0.0000
614 L A 0.0000
615 I A 0.0000
616 T A 0.0000
617 G A 0.0000
618 Q A 0.0000
619 I A 0.0000
620 G A 0.3089
621 R A -0.9216
622 P A -0.8600
623 G A 0.0000
624 T A 0.0000
625 G A 0.0000
626 L A 0.0000
627 H A 0.0000
628 P A 0.0000
629 L A 0.0000
630 R A 0.0000
631 G A -0.0841
632 Q A 0.0000
633 N A 0.0000
634 N A 0.0000
635 V A 0.0000
636 Q A 0.0000
637 G A 0.0000
638 A A 0.0000
639 S A 0.0000
640 D A 0.0000
641 A A 0.0000
642 G A 0.0000
643 L A 0.0000
644 I A 0.0000
645 P A 0.0000
646 M A -0.6063
647 V A 0.0000
648 Y A 0.0000
649 P A 0.0000
650 D A -0.2364
651 Y A 0.0303
652 Q A -0.5876
653 S A -1.6075
654 V A 0.0000
655 E A -3.2347
656 K A -3.6040
657 D A -3.3748
658 A A -1.9964
659 V A 0.0000
660 R A -2.5050
661 E A -2.8089
662 L A -0.7675
663 F A 0.0000
664 E A -1.7619
665 E A -2.1172
666 F A -0.6831
667 W A -0.7132
668 G A -1.3855
669 Q A -1.5302
670 S A -1.3525
671 L A 0.0000
672 D A -1.5079
673 P A -2.5321
674 Q A -2.5373
675 K A -2.3182
676 G A -1.1486
677 L A -0.4971
678 T A -0.3454
679 V A 0.0000
680 V A 0.0000
681 E A -0.9074
682 I A 0.0000
683 M A 0.0000
684 R A -2.0226
685 A A -1.4929
686 I A 0.0000
687 H A -1.5442
688 A A -1.2156
689 G A -1.6452
690 E A -2.4427
691 I A 0.0000
692 R A -1.7066
693 G A 0.0000
694 M A 0.0000
695 F A 0.0000
696 V A 0.0000
697 E A 0.0000
698 G A -0.3635
699 E A -0.3636
700 N A 0.0000
701 P A 0.0000
702 A A 0.0000
703 M A 0.0000
704 S A -0.0150
705 D A 0.0000
706 P A 0.0000
707 D A 0.0000
708 L A 0.0000
709 N A -1.8253
710 H A -1.9839
711 A A 0.0000
712 R A -1.7078
713 H A -2.0187
714 A A 0.0000
715 L A 0.0000
716 A A -1.4821
717 M A -0.8881
718 L A 0.0000
719 D A -1.9199
720 H A 0.0000
721 L A 0.0000
722 V A 0.0000
723 V A 0.0000
724 Q A 0.0000
725 D A -0.2050
726 L A 0.0018
727 F A 0.0000
728 L A 0.0000
729 T A 0.0000
730 E A -0.7651
731 T A 0.0000
732 A A 0.0000
733 F A -0.9710
734 H A 0.0000
735 A A 0.0000
736 D A -0.9547
737 V A 0.0000
738 V A 0.0000
739 L A 0.0000
740 P A 0.0000
741 A A 0.0000
742 S A 0.0000
743 A A 0.0000
744 F A 0.0000
745 A A 0.0000
746 E A 0.0000
747 K A 0.0000
748 A A -0.4300
749 G A 0.0000
750 T A 0.0000
751 F A 0.0000
752 T A 0.0000
753 N A 0.0000
754 T A 0.0000
755 D A 0.0000
756 R A 0.0000
757 R A 0.0000
758 V A 0.0000
759 Q A 0.0000
760 I A -0.8649
761 A A 0.0000
762 Q A -1.3640
763 P A -0.6990
764 V A 0.0000
765 V A 0.0000
766 A A -0.7635
767 P A -0.7019
768 P A -0.7835
769 G A -1.2198
770 D A -1.7820
771 A A 0.0000
772 R A -1.1565
773 Q A -0.5780
774 D A 0.0000
775 W A 0.0453
776 W A -0.1203
777 I A 0.0000
778 I A 0.0000
779 Q A 0.0000
780 E A -1.1912
781 L A 0.0000
782 A A 0.0000
783 R A -2.4400
784 R A -2.0946
785 L A 0.0000
786 D A -2.6470
787 L A -2.1931
788 D A -2.8178
789 W A 0.0000
790 N A -2.0062
791 Y A -1.2884
792 G A -1.0621
793 G A 0.0000
794 P A -0.4839
795 A A -1.0222
796 D A -1.8028
797 I A 0.0000
798 F A 0.0000
799 A A -0.8256
800 E A -0.8542
801 M A 0.0000
802 A A -0.9945
803 Q A -1.4137
804 V A 0.0000
805 M A 0.0000
806 P A -1.0414
807 S A -0.9913
808 L A 0.0000
809 N A -2.0958
810 N A -1.8796
811 I A 0.0000
812 T A -1.1372
813 W A -1.8293
814 E A -3.0717
815 R A 0.0000
816 L A 0.0000
817 E A -3.8630
818 R A -3.9252
819 E A -3.2803
820 G A -2.1693
821 A A -1.0189
822 V A 0.0000
823 T A 0.0000
824 Y A 0.0000
825 P A -1.1115
826 V A 0.0000
827 D A -2.8343
828 A A -2.2964
829 P A -2.1749
830 D A -2.8641
831 Q A -2.7523
832 P A -1.8345
833 G A -1.4945
834 N A -0.9913
835 E A -0.6259
836 I A 0.1175
837 I A 0.4381
838 F A 0.7596
839 Y A 1.2166
840 A A 0.6028
841 G A 0.2331
842 F A 0.0000
843 P A -1.0524
844 T A -1.6861
845 E A -2.2395
846 S A -1.5067
847 G A -1.3155
848 R A -1.3555
849 A A 0.0000
850 K A -1.5646
851 I A 0.0000
852 V A -0.3342
853 P A -0.8151
854 A A 0.0144
855 A A 0.3937
856 I A 1.1802
857 V A 0.7553
858 P A 0.1103
859 P A -0.3657
860 D A -1.3260
861 E A 0.0000
862 V A 0.7354
863 P A -0.9178
864 D A -2.9178
865 D A -3.6378
866 E A -3.5544
867 F A -2.2757
868 P A -1.6661
869 M A -0.4007
870 V A 0.3606
871 L A 0.0000
872 S A 0.0000
873 T A 0.0000
874 G A -0.2436
875 R A -0.3153
876 V A 0.0162
877 L A 0.2367
878 E A -0.0817
879 H A 0.0000
880 W A 0.0000
881 H A -0.1511
882 T A 0.0000
883 G A 0.0000
884 S A -0.1647
885 M A -0.2054
886 T A 0.0000
887 R A -0.8888
888 R A -0.7871
889 A A 0.0000
890 G A -0.7095
891 V A -0.2325
892 L A 0.0000
893 D A -0.9456
894 A A -0.4129
895 L A -0.0521
896 E A 0.0000
897 P A -0.9900
898 E A -1.8644
899 A A 0.0000
900 V A 0.0000
901 A A 0.0000
902 F A -0.8832
903 M A 0.0000
904 A A 0.0000
905 P A 0.0000
906 K A -1.6617
907 E A 0.0000
908 L A 0.0000
909 Y A -0.6088
910 R A -1.6011
911 L A -0.7899
912 G A -1.0573
913 L A 0.0000
914 R A -2.1679
915 P A -1.7537
916 G A -1.5893
917 G A -1.5271
918 S A -0.8224
919 M A 0.0000
920 R A -0.5242
921 L A 0.0000
922 E A -1.1098
923 T A 0.0000
924 R A -2.3500
925 R A -1.5329
926 G A -0.9455
927 A A -0.4339
928 V A 0.0000
929 V A 0.8386
930 L A 0.0000
931 K A -1.6124
932 V A 0.0000
933 R A -2.0433
934 S A -2.0617
935 D A -2.2890
936 R A -2.8628
937 D A -2.2969
938 V A 0.0000
939 P A -0.6275
940 I A 0.8560
941 G A 0.4754
942 M A 0.0000
943 I A 0.0000
944 F A 0.0000
945 M A 0.0000
946 P A 0.0000
947 F A 0.1674
948 C A 0.0000
949 Y A 0.0000
950 A A -0.9771
951 E A -1.7125
952 A A 0.0000
953 A A 0.0000
954 A A 0.0000
955 N A 0.0000
956 L A -0.5125
957 L A 0.0000
958 T A 0.0000
959 N A 0.0000
960 P A -0.2948
961 A A -0.3632
962 L A -0.0451
963 D A 0.0000
964 P A 0.2773
965 L A 0.9217
966 G A 0.0000
967 K A -0.0917
968 I A 0.0000
969 P A 0.0000
970 E A 0.0000
971 F A 0.0000
972 K A -0.1961
973 F A 0.0000
974 C A 0.0000
975 A A 0.0000
976 A A 0.0000
977 R A -1.7887
978 V A -0.1946
979 V A -0.0305
980 P A -0.3111
981 A A -0.0224
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Laboratory of Theory of Biopolymers 2018