Project name: KIJOON CHO

Status: done

Started: 2025-03-07 04:35:34
Settings
Chain sequence(s) A: PFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRNDLCIKVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTFTEYIKNIINTSILSIGY
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]                                                (00:00:00)
[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 A 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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:06)
Show buried residues

Minimal score value
-4.2231
Maximal score value
3.0483
Average score
-0.6663
Total score value
-575.7005

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
1 P A 0.0000
2 F A 1.2899
3 V A -0.3201
4 N A -1.7682
5 K A -2.6608
6 Q A -2.4623
7 F A 0.0000
8 N A -2.3151
9 Y A 0.0000
10 K A -2.5424
11 D A -1.7235
12 P A -1.1651
13 V A -0.3994
14 N A -0.9837
15 G A 0.0000
16 V A 0.9229
17 D A -0.2041
18 I A 0.0000
19 A A 0.0000
20 Y A 0.4619
21 I A 0.0000
22 K A -0.6398
23 I A 0.0000
24 P A 0.0000
25 N A -0.0584
26 V A 0.1034
27 G A -0.7193
28 Q A -1.5367
29 M A -1.3024
30 Q A -1.4166
31 P A -0.7480
32 V A 0.0000
33 K A -0.0481
34 A A 0.0000
35 F A 0.0000
36 K A -0.5559
37 I A 0.0000
38 H A -0.4465
39 N A -1.0280
40 K A 0.0000
41 I A 0.0000
42 W A 0.0000
43 V A 0.0000
44 I A 0.0000
45 P A 0.0000
46 E A -0.5603
47 R A 0.0000
48 D A 0.0000
49 T A -0.9621
50 F A -0.5768
51 T A 0.0000
52 N A -1.2355
53 P A -1.7973
54 E A -2.6613
55 E A -2.3759
56 G A -2.2374
57 D A -2.8607
58 L A -1.6911
59 N A -2.0494
60 P A -1.3458
61 P A -1.4618
62 P A -1.4245
63 E A -2.2841
64 A A -1.3831
65 K A -1.0488
66 Q A -0.8157
67 V A 0.2521
68 P A -0.0344
69 V A -0.1380
70 S A 0.0000
71 Y A 0.0000
72 Y A -0.5456
73 D A -0.8364
74 S A -1.0539
75 T A -0.5057
76 Y A 0.0000
77 L A 0.0000
78 S A -0.8920
79 T A -1.2483
80 D A -2.2071
81 N A -2.5436
82 E A -1.8252
83 K A 0.0000
84 D A -1.9986
85 N A -1.5717
86 Y A 0.0000
87 L A 0.0000
88 K A -1.0368
89 G A 0.0000
90 V A 0.0000
91 T A -0.1655
92 K A 0.0409
93 L A 0.0000
94 F A 0.0000
95 E A 0.4318
96 R A 0.0000
97 I A 0.0000
98 Y A 0.0999
99 S A 0.0526
100 T A -0.7524
101 D A -1.2521
102 L A 0.0000
103 G A 0.0000
104 R A -0.6913
105 M A 0.0000
106 L A 0.0000
107 L A 0.0000
108 T A 0.0000
109 S A 0.0000
110 I A 0.0000
111 V A 0.0000
112 R A -0.8460
113 G A 0.0000
114 I A 0.0000
115 P A 0.0000
116 F A 0.0000
117 W A 0.0000
118 G A 0.0000
119 G A -0.5451
120 S A -0.3493
121 T A 0.3557
122 I A 0.8605
123 D A -1.4948
124 T A -1.5654
125 E A -0.8268
126 L A 0.0000
127 K A -0.2616
128 V A -0.5825
129 I A 0.0000
130 D A -1.0723
131 T A 0.0000
132 N A 0.0000
133 C A 0.0000
134 I A 0.0000
135 N A 0.0000
136 V A 0.0000
137 I A 0.0297
138 Q A -0.7883
139 P A -1.3563
140 D A -2.3214
141 G A -1.4276
142 S A -0.9404
143 Y A -0.4633
144 R A -1.0104
145 S A 0.0000
146 E A 0.0000
147 E A -0.6505
148 L A 0.0000
149 N A 0.0000
150 L A 0.0000
151 V A 0.0000
152 I A 0.0000
153 I A 0.0000
154 G A 0.0000
155 P A 0.0000
156 S A 0.0000
157 A A -1.0770
158 D A 0.0000
159 I A 0.0000
160 I A 0.0000
161 Q A -1.0085
162 F A -0.7950
163 E A -1.3713
164 C A 0.0000
165 K A -0.2931
166 S A 0.0000
167 F A 0.0000
168 G A -0.5905
169 H A -0.8070
170 E A -1.3242
171 V A 0.6753
172 L A -0.1103
173 N A -1.2683
174 L A 0.0000
175 T A 0.0000
176 R A -0.7742
177 N A -0.8593
178 G A 0.0000
179 Y A -0.1966
180 G A 0.0000
181 S A 0.0000
182 T A 0.0000
183 Q A 0.0000
184 Y A 0.0000
185 I A 0.0000
186 R A 0.0000
187 F A 0.0000
188 S A 0.0000
189 P A 0.0000
190 D A -0.8508
191 F A 0.0000
192 T A 0.0000
193 F A -0.2403
194 G A 0.0000
195 F A 0.0000
196 E A -1.6589
197 E A 0.0000
198 S A 0.0000
199 L A -0.8094
200 E A -0.7681
201 V A 0.0000
202 D A -2.0992
203 T A -0.9507
204 N A -0.4747
205 P A -0.5347
206 L A 0.4045
207 L A 0.0000
208 G A -0.3616
209 A A -0.6613
210 G A -1.1119
211 K A -1.6743
212 F A 0.0000
213 A A 0.0000
214 T A 0.0000
215 D A 0.0000
216 P A 0.0000
217 A A 0.0000
218 V A 0.0000
219 T A 0.0516
220 L A 0.0000
221 A A 0.0000
222 H A 0.0000
223 E A 0.0000
224 L A 0.0000
225 I A 0.0000
226 H A -0.3336
227 A A 0.0000
228 G A 0.0000
229 H A 0.0000
230 R A 0.0000
231 L A 0.0000
232 Y A 0.0000
233 G A 0.0000
234 I A 0.0000
235 A A 0.0000
236 I A 0.0000
237 N A -1.3972
238 P A -0.9195
239 N A -1.7384
240 R A -1.4493
241 V A -1.1289
242 F A 0.0000
243 K A -2.7117
244 V A -1.9004
245 N A -1.8807
246 T A -1.1921
247 N A -1.6332
248 A A -0.7375
249 Y A -0.5093
250 Y A 0.0616
251 E A 0.0000
252 M A 0.0000
253 S A -0.7185
254 G A 0.0000
255 L A -0.5687
256 E A -1.4267
257 V A 0.0000
258 S A -0.9332
259 F A 0.0000
260 E A 0.0000
261 E A -0.3295
262 L A 0.0000
263 R A 0.0000
264 T A 0.0000
265 F A 0.0000
266 G A 0.0000
267 G A -1.0447
268 H A -0.8800
269 D A 0.0000
270 A A -0.6750
271 K A -0.8825
272 F A 0.0000
273 I A 0.0000
274 D A 0.0000
275 S A -0.7559
276 L A -0.5603
277 Q A 0.0000
278 E A -0.8782
279 N A -0.6281
280 E A -0.2833
281 F A 0.0000
282 R A -0.2000
283 L A 0.6032
284 Y A 1.0517
285 Y A 0.0000
286 Y A -0.5046
287 N A -1.0747
288 K A -1.4092
289 F A 0.0000
290 K A -2.5050
291 D A -2.6838
292 I A 0.0000
293 A A 0.0000
294 S A -1.7878
295 T A -1.6322
296 L A 0.0000
297 N A -2.1957
298 K A -2.8338
299 A A 0.0000
300 K A -2.4549
301 S A -0.9963
302 I A 0.0388
303 V A 0.8088
304 G A -0.3214
305 T A -0.4838
306 T A -0.1665
307 A A 0.0029
308 S A -0.4726
309 L A -0.6179
310 Q A -1.2293
311 Y A -0.6635
312 M A 0.0000
313 K A -1.0160
314 N A -1.3423
315 V A -1.1771
316 F A 0.0000
317 K A -1.5499
318 E A -1.9769
319 K A 0.0000
320 Y A 0.0000
321 L A -0.7823
322 L A 0.0000
323 S A -1.8617
324 E A -2.8910
325 D A -3.0249
326 T A -1.6733
327 S A -1.5780
328 G A -2.3667
329 K A -3.0151
330 F A 0.0000
331 S A -1.8926
332 V A -1.2934
333 D A -1.4881
334 K A -1.0588
335 L A 0.1607
336 K A -0.9089
337 F A 0.0000
338 D A -0.9488
339 K A -1.0458
340 L A 0.0000
341 Y A 0.0000
342 K A -1.3847
343 M A 0.0000
344 L A 0.0000
345 T A 0.0000
346 E A -1.5794
347 I A 0.0000
348 Y A 0.0000
349 T A 0.0000
350 E A 0.0000
351 D A -1.0211
352 N A 0.0000
353 F A 0.0000
354 V A -1.1349
355 K A -1.8046
356 F A -1.0789
357 F A 0.0000
358 K A -1.9169
359 V A 0.0000
360 L A 0.0000
361 N A 0.0000
362 R A -0.7006
363 K A -0.7532
364 T A -0.3233
365 Y A 0.0529
366 L A 0.2731
367 N A -0.5008
368 F A -0.2572
369 D A -0.8949
370 K A -1.4067
371 A A -1.2506
372 V A 0.0000
373 F A 0.0000
374 K A -1.6670
375 I A 0.0000
376 N A -1.3967
377 I A 0.0000
378 V A -0.2828
379 P A -0.4292
380 K A -0.8506
381 V A 0.7946
382 N A 0.0172
383 Y A 0.0000
384 T A 0.0000
385 I A 0.6164
386 Y A 0.8550
387 D A -0.2489
388 G A 0.0000
389 F A 0.0000
390 N A -1.0073
391 L A -1.1456
392 R A -2.5078
393 N A -2.4690
394 T A -1.6310
395 N A -1.8029
396 L A 0.0000
397 A A -1.2084
398 A A -0.4854
399 N A -0.1018
400 F A -0.2430
401 N A -0.5462
402 G A 0.0000
403 Q A 0.0000
404 N A 0.0000
405 T A 0.0000
406 E A -1.9459
407 I A -0.4590
408 N A 0.0000
409 N A -1.4838
410 M A 0.1987
411 N A -0.5749
412 F A 0.0000
413 T A -1.6031
414 K A -2.4542
415 L A -1.6831
416 K A -1.8870
417 N A -0.8116
418 F A 0.3628
419 T A 0.0000
420 G A 0.2534
421 L A 1.2700
422 F A 0.5864
423 E A -0.7187
424 F A 0.0000
425 Y A -0.8633
426 K A 0.0000
427 L A -1.5921
428 L A 0.0000
429 C A 0.0000
430 V A 0.0000
431 R A -3.5901
450 N A -2.1716
451 D A -2.9000
452 L A -1.5572
453 C A -1.2204
454 I A 0.0000
455 K A -1.0978
456 V A 0.0000
457 N A -0.2117
458 N A 0.0000
459 W A -0.0436
460 D A -0.6178
461 L A 0.0000
462 F A 0.0000
463 F A 0.0610
464 S A 0.0000
465 P A -1.4315
466 S A -2.3660
467 E A -3.3357
468 D A -3.0237
469 N A 0.0000
470 F A 0.0000
471 T A -1.2319
472 N A -1.6395
473 D A -2.4637
474 L A 0.0000
475 N A -2.4975
476 K A -3.1053
477 G A -2.7778
478 E A -3.1753
479 E A -2.4876
480 I A 0.0000
481 T A -1.2170
482 S A 0.0000
483 D A -1.9062
484 T A -1.5541
485 N A -1.0109
486 I A 0.4217
487 E A -0.6870
488 A A -0.6812
489 A A -1.6714
490 E A -2.9071
491 E A -3.0195
492 N A -2.7682
493 I A -1.6356
494 S A -1.1642
495 L A -0.5345
496 D A -1.6815
497 L A -1.2347
498 I A 0.0000
499 Q A -1.1650
500 Q A -0.8166
501 Y A 0.0000
502 Y A -0.0949
503 L A 0.9947
504 T A 0.3206
505 F A -0.0687
506 N A -1.3172
507 F A -1.2049
508 D A -2.6621
509 N A -2.8704
510 E A -2.5757
511 P A -2.0736
512 E A -2.7248
513 N A -2.2410
514 I A -1.1882
515 S A -1.3264
516 I A 0.0000
517 E A -2.3724
518 N A -2.3570
519 L A -1.4395
520 S A -0.9080
521 S A -0.8209
522 D A -0.9185
523 I A 0.0000
524 I A 1.1285
525 G A 0.0000
526 Q A -0.7586
527 L A -0.0653
528 E A 0.0193
529 L A 1.2798
530 M A 0.7551
531 P A -0.3256
532 N A -0.7903
533 I A 0.0924
534 E A -1.7215
535 R A -1.5329
536 F A -0.7798
537 P A -1.2928
538 N A -1.8624
539 G A -1.9122
540 K A -2.9346
541 K A -2.8936
542 Y A -2.0329
543 E A -3.0942
544 L A -2.4186
545 D A -3.2508
546 K A -2.4181
547 Y A -1.0372
548 T A 0.0000
549 M A 0.0000
550 F A 0.0000
551 H A 0.0000
552 Y A -0.1133
553 L A 0.0000
554 R A -0.8632
555 A A 0.0000
556 Q A 0.0000
557 E A -2.1620
558 F A -2.0666
559 E A -2.7640
560 H A -2.2426
561 G A -2.0506
562 K A -2.5901
563 S A -2.1648
564 R A -1.9533
565 I A -0.3410
566 A A 0.0000
567 L A 0.0006
568 T A 0.0000
569 N A -1.2971
570 S A -0.4136
571 V A 0.7535
572 N A -0.3639
573 E A -1.6078
574 A A -1.2563
575 L A 0.0000
576 L A -0.8288
577 N A -1.7361
578 P A -1.6213
579 S A -1.7495
580 R A -2.4009
581 V A 0.0000
582 Y A 0.0000
583 T A 0.0000
584 F A 0.0000
585 F A 0.0000
586 S A -1.0465
587 S A -1.6801
588 D A -2.4421
589 Y A 0.0000
590 V A -1.6049
591 K A -2.5688
592 K A -1.9958
593 V A 0.0000
594 N A 0.0000
595 K A -2.1463
596 A A -1.3138
597 T A -1.0732
598 E A -1.6034
599 A A -0.7396
600 A A -0.0526
601 M A 0.5633
602 F A 0.0000
603 L A 0.0899
604 G A -0.5328
605 W A 0.0000
606 V A 0.0000
607 E A -1.5954
608 Q A -0.9750
609 L A 0.0000
610 V A -0.4996
611 Y A 0.1589
612 D A 0.0000
613 F A 0.0000
614 T A -1.0594
615 D A -1.4193
616 E A -1.2132
617 T A 0.0000
618 S A -1.5498
619 E A -1.9580
620 V A -0.3369
621 S A -0.2862
622 T A -0.7681
623 T A -1.0413
624 D A -2.4306
625 K A -2.3184
626 I A -0.5340
627 A A -0.6361
628 D A -0.6051
629 I A 0.0000
630 T A -0.6105
631 I A -0.1930
632 I A 0.0000
633 I A 0.0000
634 P A -0.4348
635 Y A 0.0000
636 I A 0.0000
637 G A 0.0000
638 P A -0.8132
639 A A 0.0000
640 L A 0.0000
641 N A -0.7267
642 I A 0.0000
643 G A -1.1095
644 N A -1.2170
645 M A -0.3496
646 L A 0.0744
647 Y A 0.2434
648 K A -2.0886
649 D A -3.0739
650 D A -2.5784
651 F A 0.0000
652 V A -0.0621
653 G A 0.0485
654 A A 0.0000
655 L A 0.0000
656 I A 1.6533
657 F A 2.4995
658 S A 1.1621
659 G A 0.5873
660 A A 0.0000
661 V A 0.9850
662 I A 0.0000
663 L A 0.0000
664 L A 0.0000
665 E A 0.1500
666 F A 0.8662
667 I A 1.5280
668 P A 0.0000
669 E A -1.4781
670 I A -0.5611
671 A A -0.1774
672 I A 0.0000
673 P A -0.0958
674 V A 0.6076
675 L A 0.0000
676 G A -1.3491
677 T A -1.1100
678 F A 0.0000
679 A A -1.0698
680 L A -0.3265
681 V A 0.0399
682 S A 0.3652
683 Y A 1.1740
684 I A 1.7833
685 A A 0.4508
686 N A 0.1943
687 K A -0.1727
688 V A 1.2056
689 L A 0.6757
690 T A 0.0000
691 V A 0.0803
692 Q A -0.6063
693 T A 0.0000
694 I A 0.0000
695 D A -0.8400
696 N A -0.9271
697 A A 0.0000
698 L A 0.0000
699 S A -0.5930
700 K A -0.8733
701 R A 0.0000
702 N A -1.1498
703 E A -1.1013
704 K A -1.1353
705 W A 0.0000
706 D A -1.5385
707 E A -1.2699
708 V A 0.0000
709 Y A 0.0000
710 K A -1.2551
711 Y A 0.0000
712 I A 0.0000
713 V A 0.0000
714 T A 0.0000
715 N A 0.0000
716 W A 0.0000
717 L A 0.0000
718 A A 0.0000
719 K A -0.2979
720 V A 0.0000
721 N A 0.0000
722 T A -0.1503
723 Q A 0.0000
724 I A 0.0000
725 D A -0.6549
726 L A -0.4080
727 I A 0.0000
728 R A 0.0000
729 K A -1.2023
730 K A 0.0000
731 M A 0.0000
732 K A -1.3140
733 E A -1.8430
734 A A 0.0000
735 L A 0.0000
736 E A -2.0846
737 N A 0.0000
738 Q A 0.0000
739 A A 0.0000
740 E A -2.3771
741 A A 0.0000
742 T A 0.0000
743 K A -1.2788
744 A A -0.7945
745 I A 0.0000
746 I A 0.0000
747 N A -0.7847
748 Y A -0.9822
749 Q A -1.3089
750 Y A -1.3254
751 N A -1.9451
752 Q A -2.0294
753 Y A -2.0793
754 T A -2.2983
755 E A -3.6591
756 E A -4.2057
757 E A -4.2231
758 K A -3.4456
759 N A -2.8441
760 N A -1.2308
761 I A 0.3945
762 N A -1.3344
763 F A -0.5315
764 N A -1.4168
765 I A -1.6125
766 D A -2.8076
767 D A -2.8674
768 L A 0.0000
769 S A -2.2956
770 S A -2.1321
771 K A -2.3402
772 L A 0.0000
773 N A -1.7534
774 E A -1.8518
775 S A 0.0000
776 I A 0.0000
777 N A 0.0000
778 K A -1.4979
779 A A 0.0000
780 M A 0.0000
781 I A -1.0285
782 N A -0.9906
783 I A 0.0000
784 N A 0.0000
785 K A -1.2521
786 F A 0.0000
787 L A 0.0000
788 N A -0.7262
789 Q A -0.6608
790 C A 0.0000
791 S A 0.0000
792 V A 0.0000
793 S A 0.0000
794 Y A 0.0000
795 L A 0.0000
796 M A -0.2362
797 N A -0.8097
798 S A -0.4905
799 M A 0.0000
800 I A 0.0000
801 P A -0.0382
802 Y A 0.3277
803 G A 0.0000
804 V A -1.3461
805 K A -2.3894
806 R A -1.8572
807 L A 0.0000
808 E A -3.4646
809 D A -2.8317
810 F A 0.0000
811 D A 0.0000
812 A A -1.6033
813 S A -1.3968
814 L A 0.0000
815 K A -1.6770
816 D A -2.2841
817 A A -1.2658
818 L A 0.0000
819 L A -1.6678
820 K A -2.2564
821 Y A 0.0000
822 I A 0.0000
823 Y A -1.5732
824 D A -2.4534
825 N A -1.5454
826 R A -2.2812
827 G A -0.8924
828 T A -0.3394
829 L A 0.0000
830 I A 0.6706
831 G A -0.3285
832 Q A -1.4400
833 V A -1.4516
834 D A -3.2238
835 R A -3.7305
836 L A 0.0000
837 K A -3.2690
838 D A -3.9771
839 K A -3.0619
840 V A 0.0000
841 N A -2.7374
842 N A -2.6995
843 T A -1.6052
844 L A 0.0000
845 S A -1.4058
846 T A -1.3419
847 D A -1.7443
848 I A -1.0068
849 P A -0.6802
850 F A -0.7712
851 Q A -1.2363
852 L A 0.0000
853 S A -1.7777
854 K A -2.8573
855 Y A 0.0000
856 V A 0.0000
857 D A -2.5338
858 N A 0.0000
859 Q A -1.9352
860 R A -1.7127
861 L A 0.0000
862 L A -1.3356
863 S A -1.0827
864 T A -0.9382
865 F A 0.0000
866 T A -1.0606
867 E A -2.1394
868 Y A 0.0000
869 I A 0.4669
870 K A -1.0604
871 N A 0.2327
872 I A 2.5026
873 I A 3.0345
874 N A 1.5756
875 T A 1.6097
876 S A 2.0924
877 I A 2.7216
878 L A 3.0483
879 S A 2.1549
880 I A 2.3491
881 G A 1.2644
882 Y A 1.5137
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Laboratory of Theory of Biopolymers 2018