Project name: 4nl8_modified_chains-AC.pdb_stat_DIBS

Status: done

submitted: 2018-04-18 14:35:16, status changed: 2018-04-20 14:12:52
Settings
Chain sequence(s) A: MSVAHVALPVPLPRTFDYLLPEKAGCRVRVPFGKQERIGIVAAVLKPVLDDEPVFSTTVWRLLMWAAEYYHHPIGDVLFHALPVMLRQGKPASATRLNTEQATAVGAIHSAADDRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVMVPEIGLTPQTIARFRQRFNAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRSSLFTPFKDLGVIVIDEEHDSSYKQQEGWRYHARDLAVWRAHSEQIPIILGSATPALETLHNVRQGKYRQLTLSQQHVLDLKGQPLQAGLSPALISRMRQHLQADNQVILFLNRRGFAPALLCHDCGWIAECPRCDSYYTLHQAQHHLRCHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLLDVDGALFSADFRSAERFAQLYTQVSGRKQGEVILQTHHPEHPLLQTLLYKGYDAFAEQALAERQTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRNLLQASPLADEKLWVLGPVPALARWQILLQHPSRVRLQHIVSGTLALINTLVKWVLDVDPIEG
C: IPF
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.693
Maximal score value
2.3107
Average score
-0.7423
Total score value
-409.7253

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
175 I C 1.9469
176 P C 0.9720
177 F C 0.7226
1 M A 1.1264
2 S A 0.8054
3 V A 1.0568
4 A A 0.0000
5 H A -0.2835
6 V A 0.0000
7 A A 0.0000
8 L A 0.0000
9 P A -0.3885
10 V A 0.0000
11 P A -0.2831
12 L A 0.1216
13 P A -0.9685
14 R A -1.7273
15 T A -0.9912
16 F A -0.5166
17 D A -0.5728
18 Y A 0.0000
19 L A 0.8432
20 L A 0.8481
21 P A -0.5470
22 E A -1.7670
27 K A -1.9279
28 A A -0.6509
29 G A 0.0000
30 C A 0.0000
31 R A 0.0000
32 V A -0.2548
33 R A -1.8098
34 V A 0.0000
35 P A -1.9512
36 F A -1.6609
37 G A -1.8413
38 K A -2.8608
39 Q A -3.0699
40 E A -3.4025
41 R A -2.6083
42 I A -1.4904
43 G A 0.0000
44 I A 0.0000
45 V A 0.0000
46 A A 0.0480
47 A A 0.3683
48 V A 1.3427
59 L A 0.8687
60 K A -0.5745
61 P A 0.0662
62 V A 0.6713
66 L A -0.4570
67 D A -1.6971
68 D A -2.8897
69 E A -3.0176
70 P A -1.7581
71 V A 0.0000
72 F A 0.0000
73 S A -0.8487
74 T A -0.5689
75 T A -0.7777
76 V A 0.0000
77 W A -0.6735
78 R A -1.6557
79 L A 0.0000
80 L A 0.0000
81 M A -0.6013
82 W A -0.6328
83 A A 0.0000
84 A A 0.0000
85 E A -1.9084
86 Y A 0.0000
87 Y A 0.0000
88 H A -0.7701
89 H A -0.6255
90 P A -0.7883
91 I A -0.6084
92 G A 0.0000
93 D A -0.7186
94 V A 0.0000
95 L A 0.0000
96 F A 0.0000
97 H A -0.4562
98 A A -0.1878
99 L A 0.0000
100 P A 0.0000
101 V A 0.1230
102 M A -0.5596
103 L A 0.0000
104 R A -0.9664
105 Q A -1.7153
106 G A -1.3644
107 K A -1.2748
108 P A -0.7892
109 A A -0.7698
110 S A -0.4711
111 A A -0.3370
112 T A -0.0985
197 R A -1.8893
198 L A -1.1452
199 N A -1.7241
200 T A -1.0194
201 E A -1.3164
202 Q A 0.0000
203 A A -0.8240
204 T A -0.6708
205 A A 0.0000
206 V A 0.0000
207 G A -0.7518
208 A A -0.4189
209 I A 0.0000
210 H A -1.2985
211 S A -1.1600
212 A A -1.3926
213 A A -1.9590
214 D A -2.9945
215 R A -3.1666
216 F A -1.7267
217 S A -1.3817
218 A A 0.0000
219 W A 0.0000
220 L A 0.0000
221 L A 0.0000
222 A A 0.1174
223 G A 0.0000
224 I A 1.6411
225 T A 0.2728
226 G A -0.1535
227 S A 0.1756
228 G A -0.0450
229 K A 0.0000
230 T A -0.3079
231 E A -0.4720
232 V A 0.0000
233 Y A 0.0000
234 L A 0.0000
235 S A -1.2025
236 V A 0.0000
237 L A 0.0000
238 E A -2.5442
239 N A -1.8007
240 V A 0.0000
241 L A -1.5198
242 A A -1.3200
243 Q A -1.7264
244 G A -1.9539
245 R A -2.7489
246 Q A 0.0000
247 A A 0.0000
248 L A 0.0000
249 V A 0.0000
250 M A 0.0000
251 V A 0.0000
252 P A 0.0000
253 E A -1.0772
254 I A 1.0468
255 G A 0.0113
256 L A -0.0397
257 T A -0.2922
258 P A -1.0481
259 Q A -1.7242
260 T A -1.3660
261 I A -1.3697
262 A A -2.2555
263 R A -3.2928
264 F A 0.0000
265 R A -3.2109
266 Q A -3.3863
267 R A -3.4464
268 F A 0.0000
269 N A -2.3029
270 A A -1.4884
271 P A -1.2453
272 V A 0.0000
273 E A -0.8630
274 V A 0.0000
275 L A 0.0000
276 H A -0.8728
277 S A -0.8426
278 G A -1.1265
279 L A -1.3919
280 N A -2.1951
281 D A -1.9433
282 S A -1.4423
283 E A -1.9412
284 R A -1.6071
285 L A 0.0000
286 S A -0.9897
287 A A 0.0000
288 W A 0.0000
289 L A 0.0000
290 K A -1.9776
291 A A 0.0000
292 K A -2.3125
293 N A -2.4199
294 G A -2.9069
295 E A -2.6390
296 A A 0.0000
297 A A -1.4563
298 I A 0.0000
299 V A 0.0000
300 I A 0.0000
301 G A 0.0000
302 T A -0.5798
303 R A -0.6954
304 S A -0.5210
305 S A 0.0000
306 L A 0.0000
307 F A 0.0000
308 T A 0.0000
309 P A 0.0000
310 F A -2.1293
311 K A -3.4711
312 D A -3.3024
313 L A 0.0000
314 G A -1.9388
315 V A 0.0000
316 I A 0.0000
317 V A 0.0000
318 I A 0.0000
319 D A -1.0008
320 E A -1.4361
321 E A 0.0000
322 H A -0.9094
323 D A -1.1833
324 S A -0.9002
325 S A -0.7519
326 Y A 0.0000
327 K A 0.0000
328 Q A 0.0000
329 Q A -2.1189
330 E A -2.4679
331 G A -1.6290
332 W A 0.0000
333 R A -1.1703
334 Y A 0.0000
335 H A -0.5064
336 A A 0.0000
337 R A 0.0000
338 D A -0.3720
339 L A 0.0000
340 A A 0.0000
341 V A 0.0000
342 W A 0.0000
343 R A 0.0000
344 A A 0.0000
345 H A -1.0866
346 S A -1.2006
347 E A -1.4755
348 Q A -2.3560
349 I A 0.0000
350 P A 0.0000
351 I A 0.0000
352 I A 0.0000
353 L A 0.0000
354 G A 0.0000
355 S A 0.0000
356 A A 0.1390
357 T A 0.0000
358 P A 0.0000
359 A A 0.0000
360 L A 0.0000
361 E A -0.3161
362 T A 0.0000
363 L A 0.0000
364 H A 0.0000
365 N A -1.8652
366 V A -2.0826
367 R A -2.5475
368 Q A -2.3680
369 G A -2.3204
370 K A -2.7150
371 Y A 0.0000
372 R A -2.7267
373 Q A -1.3732
374 L A -0.6449
375 T A -0.2683
376 L A 0.0000
377 S A 0.0216
387 Q A -1.8377
388 Q A -0.9525
389 H A -0.4028
390 V A 0.0603
391 L A -0.1799
392 D A -1.4446
393 L A 0.0000
394 K A -1.4735
395 G A -1.5692
396 Q A -1.2940
397 P A -0.6227
398 L A -0.3574
399 Q A -0.6652
400 A A -1.0527
401 G A -0.4357
402 L A 0.0000
403 S A 0.0000
404 P A -0.3052
405 A A -0.2604
406 L A 0.0000
407 I A -0.6954
408 S A -1.1266
409 R A -1.2783
410 M A -1.1685
411 R A -2.5436
412 Q A -2.5910
413 H A -2.1937
414 L A -1.7692
415 Q A -2.4686
416 A A -2.0368
417 D A -2.7461
418 N A -2.2435
419 Q A -1.1637
420 V A 0.4502
421 I A 2.3107
422 L A 1.9568
423 F A 1.2867
424 L A 0.0490
425 N A -1.2768
426 R A -2.6727
427 R A -2.9803
428 G A -1.4499
429 F A -0.7371
430 A A -0.1928
431 P A 0.0395
432 A A 0.0000
433 L A 0.0000
434 L A 0.0000
435 C A 0.0000
436 H A 0.0000
437 D A -1.4647
438 C A -0.3748
439 G A 0.0000
440 W A 0.0803
441 I A 0.0429
442 A A 0.0000
443 E A -2.1211
444 C A 0.0000
445 P A -1.9865
446 R A -2.7500
447 C A -2.2200
448 D A -2.6506
449 S A -1.5511
450 Y A -0.7987
451 Y A 0.0000
452 T A 0.0000
453 L A 0.0000
454 H A -1.4471
455 Q A -2.0014
456 A A -1.4592
457 Q A -2.0834
458 H A -2.1247
459 H A 0.0000
460 L A 0.0000
461 R A -1.5369
462 C A 0.0000
463 H A -0.7860
464 H A -1.0181
465 C A -1.6230
466 D A -2.3785
467 S A -2.0834
468 Q A -2.0889
469 R A -1.5860
470 P A -1.3240
471 I A -1.1369
472 P A -1.2474
473 R A -2.4281
474 Q A -2.0190
475 C A 0.0000
476 P A -0.6597
477 S A -0.0428
478 C A 0.1907
479 G A -0.7802
480 S A -1.0677
481 T A -1.4577
482 H A -1.6026
483 L A -0.8185
484 V A 0.0020
485 P A 0.0438
486 V A 0.0000
487 G A -0.3383
488 I A -0.6921
489 G A -1.6005
490 T A -2.2712
491 E A -2.9377
492 Q A -2.9265
493 L A -2.0893
494 E A -2.8551
495 Q A -2.5775
496 A A -1.6011
497 L A -0.9725
498 A A -0.6937
499 P A -0.4488
500 L A -0.2669
556 L A 0.4631
557 D A -0.1103
558 V A 0.0000
559 D A 0.0000
560 G A 0.0000
561 A A 0.0000
562 L A 0.0000
563 F A 0.0000
564 S A 0.1158
565 A A 0.1488
566 D A 0.0000
567 F A 0.2514
568 R A -0.1603
569 S A 0.0000
570 A A 0.0156
571 E A 0.0000
572 R A -0.3640
573 F A 0.1218
574 A A 0.0000
575 Q A -0.0292
576 L A 0.5218
577 Y A 0.1490
578 T A 0.0020
579 Q A -0.2688
580 V A -0.6167
581 S A -1.0797
582 G A -1.2603
583 R A -2.2073
589 K A -2.4822
590 Q A -2.6252
591 G A -2.4690
592 E A -1.8562
593 V A -0.3626
594 I A 0.2113
595 L A 0.0000
596 Q A 0.0000
597 T A 0.0000
598 H A 0.0000
599 H A -1.0728
600 P A -1.3416
601 E A -2.1873
602 H A -1.2906
603 P A -0.9273
604 L A -0.5590
605 L A 0.0000
606 Q A -0.8448
607 T A 0.0000
608 L A 0.0000
609 L A 0.0000
610 Y A 0.3522
611 K A -1.4828
612 G A -1.1624
613 Y A 0.0000
614 D A -2.6479
615 A A -1.9333
616 F A 0.0000
617 A A 0.0000
618 E A -2.7728
619 Q A -1.7956
620 A A 0.0000
621 L A 0.0000
622 A A -1.2544
623 E A -1.4826
624 R A 0.0000
625 Q A -1.0137
626 T A -0.5737
627 M A 0.0355
628 Q A -0.6756
629 L A 0.0000
630 P A -0.2376
631 P A -0.3415
632 W A -0.2138
633 T A 0.0000
634 S A -0.4416
635 H A 0.0000
636 V A 0.0000
637 L A 0.0000
638 I A 0.0000
639 R A -0.5799
640 A A 0.0000
641 E A -2.8203
642 D A -2.9165
643 H A -2.8359
644 N A -3.3312
645 N A -3.6930
646 Q A -3.1290
647 Q A -2.0283
648 A A 0.0000
649 P A 0.0000
650 L A -0.2633
651 F A -0.2374
652 L A 0.0000
653 Q A -1.6117
654 Q A -1.7919
655 L A 0.0000
656 R A -1.8971
657 N A -2.2381
658 L A -0.7419
659 L A 0.0000
660 Q A -1.2307
661 A A -0.5088
662 S A -0.4018
663 P A -0.4638
664 L A -0.9944
665 A A -1.6856
666 D A -2.7432
667 E A -3.2146
668 K A -2.8278
669 L A -1.4989
670 W A -0.4442
671 V A 0.1427
672 L A -0.0752
673 G A -0.6440
674 P A -0.4788
675 V A 0.0000
676 P A -0.7853
677 A A 0.0000
678 L A -0.0809
679 A A -0.2517
687 R A -2.9530
688 W A -1.4555
689 Q A -0.4923
690 I A 0.0000
691 L A 0.1208
692 L A 0.0000
693 Q A 0.0000
694 H A 0.0000
695 P A -0.6317
696 S A -0.3757
697 R A -0.4129
698 V A -0.1877
699 R A -1.1670
700 L A 0.0000
701 Q A -1.3848
702 H A -1.6748
703 I A 0.0000
704 V A 0.0000
705 S A -0.8573
706 G A -0.1572
707 T A 0.0000
708 L A 0.6311
709 A A 0.9209
710 L A 1.6743
711 I A 0.8808
712 N A -0.4985
713 T A 0.1392
714 L A 0.5994
720 V A 0.4455
721 K A -1.1969
722 W A -0.1617
723 V A 0.3483
724 L A 0.3915
725 D A 0.0000
726 V A 0.0000
727 D A -0.6892
728 P A -0.5461
729 I A -0.4329
730 E A -0.6632
731 G A -0.8973

 

Laboratory of Theory of Biopolymers 2015