Project name: query_structure

Status: done

Started: 2026-03-17 00:52:46
Settings
Chain sequence(s) A: NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP
C: QVQLVESGGGLVQAGGSLRLSCAVSGAGAHRVGWFRRAPGKEREFVAAIGASGGMTNYLDSVKGRFTISRDNAKNTIYLQMNSLKPQDTAVYYCAARDIETAEYIYWGQGTQVTVSS
B: NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCG
D: QVQLVESGGGLVQAGGSLRLSCAVSGAGAHRVGWFRRAPGKEREFVAAIGASGGMTNYLDSVKGRFTISRDNAKNTIYLQMNSLKPQDTAVYYCAARDIETAEYIYWGQGTQVTVSS
input PDB
Selected Chain(s) A,C,B,D
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:21)
Show buried residues

Minimal score value
-4.4567
Maximal score value
1.6996
Average score
-0.5621
Total score value
-349.0647

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
334 N A -0.5256
335 L A 1.0387
336 C A 0.5079
337 P A -0.0536
338 F A 0.5579
339 G A -1.1124
340 E A -2.0076
341 V A 0.0000
342 F A 0.0000
343 N A -1.8887
344 A A -1.7287
345 T A -1.3884
346 R A -2.0424
347 F A 0.0000
348 A A -0.8501
349 S A -0.5125
350 V A 0.0000
351 Y A 0.0631
352 A A -0.2442
353 W A 0.0000
354 N A -1.8266
355 R A -1.7601
356 K A -2.0265
357 R A -2.1709
358 I A -1.0285
359 S A -0.9137
360 N A -1.2296
361 C A -0.0733
362 V A 0.5236
363 A A 0.3842
364 D A 0.2053
365 Y A 0.0984
366 S A 0.3863
367 V A 1.6645
368 L A 0.0000
369 Y A 1.2004
370 N A -0.1203
371 S A 0.0729
372 A A -0.1093
373 S A -0.2001
374 F A 0.1715
375 S A -0.2096
376 T A -0.3704
377 F A 0.0490
378 K A -0.9739
379 C A -0.3814
380 Y A -0.5361
381 G A -0.5008
382 V A -0.2962
383 S A -0.8243
384 P A -0.7009
385 T A -1.0863
386 K A -2.2721
387 L A 0.0000
388 N A -1.5331
389 D A -2.0325
390 L A -0.2025
391 C A 0.9379
392 F A 1.1037
393 T A 0.0000
394 N A -0.1376
395 V A 0.0000
396 Y A -0.8811
397 A A 0.0000
398 D A 0.0000
399 S A -0.8837
400 F A 0.0000
401 V A 0.0000
402 I A 0.0000
403 R A -0.4909
404 G A -0.3602
405 D A -1.1116
406 E A 0.0000
407 V A -1.2023
408 R A -2.2644
409 Q A -1.6798
410 I A 0.0000
411 A A -1.1088
412 P A -1.4437
413 G A -1.5171
414 Q A -1.4623
415 T A -1.1715
416 G A -1.0619
417 K A -1.2074
418 I A 0.0000
419 A A 0.0000
420 D A -1.4040
421 Y A -1.1855
422 N A 0.0000
423 Y A 0.0000
424 K A -1.4004
425 L A 0.0000
426 P A -1.9622
427 D A -2.9095
428 D A -2.7716
429 F A 0.0000
430 T A -0.8190
431 G A 0.0000
432 C A 0.0000
433 V A 0.0000
434 I A 0.0000
435 A A 0.0000
436 W A -0.1209
437 N A -0.4479
438 S A 0.0000
439 N A -0.5487
440 N A -1.0617
441 L A 0.5039
442 D A 0.0000
443 S A -0.7810
444 K A -1.1477
445 V A 0.5247
446 G A -0.5007
447 G A -0.9845
448 N A 0.0000
449 Y A -1.0086
450 N A -1.2383
451 Y A -0.5044
452 L A 0.0000
453 Y A 0.0000
454 R A 0.0000
455 L A 0.0000
456 F A -0.1362
457 R A -1.2269
458 K A -2.1003
459 S A -1.7760
460 N A -2.3003
461 L A 0.0000
462 K A -2.3571
463 P A -1.5480
464 F A -0.6751
465 E A -1.4579
466 R A -1.6135
467 D A -0.0817
468 I A 1.1968
469 S A 0.1041
470 T A -0.3313
471 E A -1.6321
472 I A -0.8440
473 Y A -1.1032
474 Q A -1.5628
475 A A -0.6603
476 G A -0.4268
477 S A -0.6616
478 T A -0.4951
479 P A -0.9698
480 C A -0.8011
481 N A -1.6348
482 G A -1.0111
483 V A -0.4906
484 E A 0.0000
485 G A 0.0363
486 F A 1.1724
487 N A -0.2354
488 C A 0.0000
489 Y A 0.0000
490 F A 0.0000
491 P A 0.0000
492 L A 0.0000
493 Q A 0.0000
494 S A 0.0000
495 Y A 0.0000
496 G A -0.5615
497 F A 0.0000
498 Q A -0.7305
499 P A -0.4843
500 T A 0.0106
501 N A -0.0203
502 G A 0.5775
503 V A 1.4811
504 G A 0.7481
505 Y A 1.0468
506 Q A 0.2020
507 P A 0.0000
508 Y A 0.0514
509 R A -0.2676
510 V A 0.0000
511 V A 0.0000
512 V A 0.0000
513 L A 0.0000
514 S A 0.0000
515 F A 0.2954
516 E A 0.3875
517 L A 1.6996
518 L A 1.4394
519 H A -0.0117
520 A A 0.2139
521 P A 0.3812
522 A A 0.1268
523 T A -0.2442
524 V A 0.0000
525 C A 0.3529
526 G A -0.1385
527 P A -0.3771
1 Q C -1.5527
2 V C 0.0000
3 Q C -1.1619
4 L C 0.0000
5 V C 1.1874
6 E C 0.2276
7 S C -0.5906
8 G C -1.3259
9 G C -0.9373
10 G C 0.0511
11 L C 1.0250
12 V C -0.1171
13 Q C -1.3327
14 A C -1.3799
15 G C -1.2887
16 G C -1.1779
17 S C -1.2588
18 L C -1.1707
19 R C -2.2685
20 L C 0.0000
21 S C -0.5063
22 C C 0.0000
23 A C 0.0547
24 V C -0.4710
25 S C -0.8374
26 G C -1.1431
27 A C -0.9864
28 G C -0.6691
29 A C 0.0000
30 H C -0.2817
31 R C 0.0000
32 V C 0.0000
33 G C 0.0000
34 W C 0.0000
35 F C 0.0000
36 R C 0.0000
37 R C -3.7198
38 A C 0.0000
39 P C -2.1763
40 G C -2.4205
41 K C -3.6090
42 E C -4.4567
43 R C -3.8034
44 E C -2.3643
45 F C 0.0000
46 V C 0.0000
47 A C 0.0000
48 A C 0.0000
49 I C 0.0000
50 G C 0.0000
51 A C 0.0000
52 S C -0.8693
53 G C -0.7853
54 G C -0.4319
55 M C 0.1183
56 T C -0.0887
57 N C -0.4773
58 Y C -0.8058
59 L C -1.3494
60 D C -2.5638
61 S C -1.6013
62 V C 0.0000
63 K C -2.7061
64 G C -1.7835
65 R C -1.5462
66 F C 0.0000
67 T C -0.9891
68 I C 0.0000
69 S C -0.6929
70 R C -1.3013
71 D C -2.0060
72 N C -2.3991
73 A C -1.8318
74 K C -2.5629
75 N C -2.2398
76 T C -1.1268
77 I C 0.0000
78 Y C -0.7693
79 L C 0.0000
80 Q C -1.5784
81 M C 0.0000
82 N C -1.4959
83 S C -1.2780
84 L C 0.0000
85 K C -2.4826
86 P C -1.7330
87 Q C -1.7393
88 D C 0.0000
89 T C -0.9699
90 A C 0.0000
91 V C -1.5409
92 Y C 0.0000
93 Y C 0.0000
94 C C 0.0000
95 A C 0.0000
96 A C 0.0000
97 R C 0.0000
98 D C -0.3935
99 I C -0.6074
100 E C -1.7730
101 T C -0.9578
102 A C 0.0000
103 E C -0.3334
104 Y C 0.0000
105 I C 1.5976
106 Y C 0.5685
107 W C 0.6615
108 G C -0.1398
109 Q C -0.8739
110 G C 0.0000
111 T C -1.0221
112 Q C -1.2755
113 V C 0.0000
114 T C -0.3029
115 V C 0.0000
116 S C -0.8739
117 S C -0.8864
334 N B -0.5338
335 L B 0.9014
336 C B 0.0000
337 P B -0.2880
338 F B 0.0597
339 G B -1.3838
340 E B -2.1852
341 V B 0.0000
342 F B -0.9839
343 N B -1.9189
344 A B -1.7429
345 T B -1.3652
346 R B -2.0137
347 F B 0.0000
348 A B -0.8455
349 S B -0.5091
350 V B 0.0000
351 Y B 0.2447
352 A B -0.0159
353 W B 0.0000
354 N B -1.7567
355 R B -1.7449
356 K B -2.1648
357 R B -2.2443
358 I B -1.0713
359 S B -0.9449
360 N B -1.2367
361 C B -0.1391
362 V B 0.4730
363 A B 0.4050
364 D B 0.0290
365 Y B 0.0863
366 S B 0.4676
367 V B 1.6995
368 L B 1.2537
369 Y B 1.2667
370 N B -0.0833
371 S B 0.1044
372 A B -0.0949
373 S B -0.1557
374 F B 0.2969
375 S B -0.0900
376 T B -0.1733
377 F B 0.3426
378 K B -0.6987
379 C B -0.2303
380 Y B -0.2620
381 G B -0.4651
382 V B -0.2327
383 S B -0.6703
384 P B -0.5818
385 T B -0.8931
386 K B -1.9376
387 L B 0.0000
388 N B -1.6141
389 D B -2.0905
390 L B -0.4113
391 C B 0.7691
392 F B 1.0137
393 T B 0.4573
394 N B -0.2121
395 V B 0.0000
396 Y B -0.9607
397 A B 0.0000
398 D B 0.0000
399 S B -0.8509
400 F B 0.0000
401 V B 0.0000
402 I B 0.0000
403 R B -0.1595
404 G B -0.3128
405 D B -1.1817
406 E B 0.0000
407 V B -1.1571
408 R B -2.2648
409 Q B -1.6453
410 I B 0.0000
411 A B -1.0523
412 P B -1.4323
413 G B -1.5230
414 Q B -1.4315
415 T B -1.0898
416 G B -1.0213
417 K B -0.9587
418 I B 0.0000
419 A B 0.0000
420 D B -1.3632
421 Y B -1.0802
422 N B 0.0000
423 Y B 0.0000
424 K B -1.2416
425 L B 0.0000
426 P B -1.9029
427 D B -2.9384
428 D B -2.7668
429 F B 0.0000
430 T B -0.8364
431 G B 0.0000
432 C B 0.0000
433 V B 0.0000
434 I B 0.0000
435 A B 0.0000
436 W B 0.0877
437 N B -0.1862
438 S B 0.0000
439 N B -0.5051
440 N B -1.0545
441 L B 0.5136
442 D B 0.0000
443 S B -0.8454
444 K B -1.2349
445 V B 0.4777
446 G B -0.5053
447 G B -1.0279
448 N B -0.9963
449 Y B -1.0695
450 N B -1.2804
451 Y B -0.5062
452 L B 0.0000
453 Y B 0.0000
454 R B 0.0000
455 L B 0.0000
456 F B -0.3522
457 R B -1.4739
458 K B -2.2547
459 S B -1.9119
460 N B -2.3718
461 L B 0.0000
462 K B -2.2056
463 P B -1.2771
464 F B -0.1843
465 E B -0.9509
466 R B -0.8275
467 D B 0.1582
468 I B 1.3991
469 S B 0.1863
470 T B -0.3422
471 E B -1.5247
472 I B -0.9025
473 Y B -1.2264
474 Q B -1.6185
475 A B -0.7734
476 G B -0.5074
477 S B -0.6891
478 T B -0.5670
479 P B -1.0430
480 C B -0.8320
481 N B -1.4522
482 G B -0.8963
483 V B -0.3246
484 E B 0.0000
485 G B 0.0653
486 F B 1.1025
487 N B -0.3875
488 C B 0.0000
489 Y B -0.1377
490 F B 0.0000
491 P B 0.0000
492 L B 0.0000
493 Q B 0.0000
494 S B 0.0000
495 Y B 0.0000
496 G B -0.5197
497 F B 0.0000
498 Q B -0.9061
499 P B -0.4285
500 T B -0.1150
501 N B -0.0487
502 G B 0.4815
503 V B 1.5131
504 G B 0.6796
505 Y B 1.0668
506 Q B 0.2630
507 P B 0.0000
508 Y B 0.2819
509 R B 0.0000
510 V B 0.0000
511 V B 0.0000
512 V B 0.0000
513 L B 0.0000
514 S B 0.0000
515 F B 0.2024
516 E B 0.1100
517 L B 1.5128
518 L B 1.1697
519 H B -0.1055
520 A B 0.1679
521 P B 0.3959
522 A B 0.1955
523 T B -0.1299
524 V B 0.0000
525 C B 0.2363
526 G B -0.5404
1 Q D -1.5480
2 V D 0.0000
3 Q D -1.0059
4 L D 0.2646
5 V D 1.2441
6 E D 0.2672
7 S D -0.6713
8 G D -1.2391
9 G D -0.8667
10 G D 0.1034
11 L D 1.0493
12 V D -0.1041
13 Q D -1.3150
14 A D -1.3409
15 G D -1.2897
16 G D -1.1905
17 S D -1.2072
18 L D -1.0373
19 R D -2.1038
20 L D 0.0000
21 S D -0.4497
22 C D 0.0000
23 A D 0.0676
24 V D -0.4494
25 S D -0.8123
26 G D -1.1169
27 A D -0.9801
28 G D -0.7432
29 A D 0.0000
30 H D -0.3430
31 R D 0.0000
32 V D 0.0000
33 G D 0.0000
34 W D 0.0000
35 F D 0.0000
36 R D 0.0000
37 R D -3.0772
38 A D -2.2864
39 P D -1.7881
40 G D -1.8047
41 K D -3.2359
42 E D -3.9757
43 R D -3.6573
44 E D -2.2509
45 F D 0.0000
46 V D 0.0000
47 A D 0.0000
48 A D 0.0000
49 I D 0.0000
50 G D 0.0000
51 A D 0.0000
52 S D -0.8761
53 G D -0.8181
54 G D -0.4355
55 M D 0.1021
56 T D -0.0818
57 N D -0.4271
58 Y D -0.7669
59 L D -1.2729
60 D D -2.5373
61 S D -1.5910
62 V D 0.0000
63 K D -2.7058
64 G D -1.8103
65 R D -1.5513
66 F D 0.0000
67 T D -0.8689
68 I D 0.0000
69 S D -0.5637
70 R D -1.4721
71 D D -2.3439
72 N D -2.5510
73 A D -2.0094
74 K D -2.8206
75 N D -2.6843
76 T D -1.3564
77 I D 0.0000
78 Y D -0.7148
79 L D 0.0000
80 Q D -1.1805
81 M D 0.0000
82 N D -1.4743
83 S D -1.3071
84 L D 0.0000
85 K D -2.4219
86 P D -1.7011
87 Q D -1.8059
88 D D 0.0000
89 T D -0.8760
90 A D 0.0000
91 V D -1.1168
92 Y D 0.0000
93 Y D -0.5840
94 C D 0.0000
95 A D 0.0000
96 A D 0.0000
97 R D 0.0000
98 D D -0.6728
99 I D -0.9135
100 E D -1.9558
101 T D -1.1277
102 A D 0.0000
103 E D -0.7779
104 Y D 0.0000
105 I D 1.1881
106 Y D 0.4352
107 W D 0.5211
108 G D -0.1297
109 Q D -0.7993
110 G D -0.7372
111 T D -0.7996
112 Q D -1.0208
113 V D 0.0000
114 T D -0.3032
115 V D 0.0000
116 S D -0.8742
117 S D -0.8532
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Laboratory of Theory of Biopolymers 2018