Project name: 7D85

Status: done

Started: 2026-03-23 03:21:00
Settings
Chain sequence(s) A: IPKACEGTGSGSRFQTVDSSNIDGFVNCTKILGNLDFLITGLNGDPWHKIPALDPEKLNVFRTVREITGYLNIQSWPPHMHNFSVFSNLTTIGGRSLYNRGFSLLIMKNLNVTSLGFRSLKEISAGRIYISANRQLCYHHSLNWTKVLRGPTEERLDIKHNRPRRDCVAEGKVCDPLCSSGGCWGPGPGQCLS
C: SVLTQPPSASGTPGQRVTISCSGSSSNIGSNSVSWYQQLPGTAPKLLIYSDNHRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCQGWDTSLSGHVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTE
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSDYDMSWVRQAPGKGLEWVSTIDLDSGSIYYADSVQGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDLHMGPEGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
E: EVQLLESGGGLVQPGGSLRLSCAASGFTFSDYDMSWVRQAPGKGLEWVSTIDLDSGSIYYADSVQGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDLHMGPEGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
D: IPKACEGTGSGSRFQTVDSSNIDGFVNCTKILGNLDFLITGLNGDPWHKIPALDPEKLNVFRTVREITGYLNIQSWPPHMHNFSVFSNLTTIGGRSLYNRGFSLLIMKNLNVTSLGFRSLKEISAGRIYISANRQLCYHHSLNWTKVLRGPTEERLDIKHNRPRRDCVAEGKVCDPLCSSGGCWGPGPGQCLS
F: SVLTQPPSASGTPGQRVTISCSGSSSNIGSNSVSWYQQLPGTAPKLLIYSDNHRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCQGWDTSLSGHVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTE
input PDB
Selected Chain(s) A,C,B,E,D,F
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:11)
Show buried residues

Minimal score value
-3.2115
Maximal score value
1.5323
Average score
-0.6461
Total score value
-805.7425

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
308 I A 1.4750
309 P A -0.2016
310 K A -0.8753
311 A A -1.0027
312 C A 0.0000
313 E A -1.7847
314 G A 0.0000
315 T A 0.0000
316 G A 0.0000
317 S A -0.7119
318 G A -1.3242
319 S A -1.3532
320 R A -1.9734
321 F A -0.7015
322 Q A -0.5825
323 T A 0.0000
324 V A 0.0000
325 D A -0.7692
326 S A -1.2740
327 S A -0.5689
328 N A 0.0000
329 I A 0.0000
330 D A -2.1293
331 G A -1.5555
332 F A 0.0000
333 V A -0.9305
334 N A -1.3593
335 C A 0.0000
336 T A -1.5205
337 K A -1.9842
338 I A 0.0000
339 L A -0.2410
340 G A -0.7081
341 N A 0.0000
342 L A 0.0000
343 D A 0.0000
344 F A 0.0000
345 L A 0.0000
346 I A 1.5323
347 T A 0.2282
348 G A 0.0000
349 L A 0.0000
350 N A -1.0862
351 G A -0.9389
352 D A -0.9214
353 P A -0.9373
354 W A -0.0264
355 H A -1.3263
356 K A -1.8954
357 I A -1.1400
358 P A -1.3058
359 A A -1.1299
360 L A 0.0000
361 D A -2.8812
362 P A -2.3227
363 E A -2.9222
364 K A -2.6953
365 L A 0.0000
366 N A -1.3661
367 V A -1.2242
368 F A 0.0000
369 R A -1.4394
370 T A -1.6052
371 V A 0.0000
372 R A -2.5379
373 E A -2.1158
374 I A 0.0000
375 T A -0.8629
376 G A 0.0000
377 Y A 0.0000
378 L A 0.0000
379 N A 0.0000
380 I A 0.0000
381 Q A 0.0543
382 S A 0.0000
383 W A 0.0000
384 P A 0.0000
385 P A -0.8510
386 H A -1.3677
387 M A -1.1383
388 H A -1.2013
389 N A -0.9634
390 F A 0.0000
391 S A -0.8769
392 V A 0.0000
393 F A 0.0000
394 S A -1.4272
395 N A -1.8032
396 L A 0.0000
397 T A -1.9195
398 T A -1.5489
399 I A 0.0000
400 G A 0.0000
401 G A 0.0000
402 R A -1.8418
403 S A -0.9777
404 L A 0.0000
405 Y A 0.0000
406 N A -0.4239
407 R A 0.0000
408 G A 0.0000
409 F A 0.0000
410 S A 0.0000
411 L A 0.0000
412 L A 0.0000
413 I A 0.0000
414 M A 0.0000
415 K A -1.4734
416 N A 0.0000
417 L A -0.5640
418 N A -1.0928
419 V A 0.0000
420 T A -0.9163
421 S A 0.0000
422 L A 0.0000
423 G A 0.0000
424 F A 0.0000
425 R A -2.3905
426 S A -1.8809
427 L A 0.0000
428 K A -2.6826
429 E A -2.0276
430 I A 0.0000
431 S A -1.1361
432 A A -0.8393
433 G A 0.0000
434 R A -0.7598
435 I A 0.0000
436 Y A 0.0000
437 I A 0.0000
438 S A 0.0000
439 A A -1.4439
440 N A 0.0000
441 R A -2.5088
442 Q A -1.7799
443 L A 0.0000
444 C A 0.0000
445 Y A 0.0000
446 H A 0.0000
447 H A -0.1828
448 S A -0.1361
449 L A 0.0000
450 N A -0.7778
451 W A 0.0000
452 T A -1.5978
453 K A -2.4780
454 V A 0.0000
455 L A 0.0000
456 R A -2.6910
457 G A -1.5421
458 P A -1.3945
459 T A 0.0000
460 E A -1.8808
461 E A -2.4627
462 R A -1.6268
463 L A 0.0000
464 D A 0.0000
465 I A 0.0000
466 K A -1.0566
467 H A -1.8483
468 N A -1.8629
469 R A -2.0961
470 P A -1.9872
471 R A -1.5217
472 R A -3.1374
473 D A -3.0212
474 C A 0.0000
475 V A -1.8724
476 A A -2.4181
477 E A -2.7862
478 G A -1.7864
479 K A -1.6101
480 V A -0.1214
481 C A 0.1251
482 D A -0.0839
483 P A 0.4147
484 L A 1.2156
485 C A 0.3915
486 S A 0.0587
487 S A -0.1879
488 G A 0.0000
489 G A 0.0000
490 C A 0.0000
491 W A 0.0000
492 G A 0.0000
493 P A -0.5806
494 G A -0.4009
495 P A -0.3057
496 G A -0.8910
497 Q A -1.1715
498 C A -0.5335
499 L A 0.0000
500 S A -0.9551
1 E B -1.8686
2 V B -0.8558
3 Q B -0.8297
4 L B 0.0000
5 L B 0.2648
6 E B 0.0000
7 S B -0.4186
8 G B -0.6143
9 G B -0.3573
10 G B -0.5028
11 L B 0.0000
12 V B -0.1107
13 Q B -0.3470
14 P B -0.7637
15 G B 0.0000
16 G B 0.0000
17 S B -0.1539
18 L B -0.2602
19 R B -0.5346
20 L B 0.0000
21 S B -0.1267
22 C B 0.0000
23 A B -0.2075
24 A B 0.0000
25 S B -0.6092
26 G B -1.0344
27 F B -0.4924
28 T B -0.2774
29 F B 0.0000
30 S B -0.7576
31 D B -0.6246
32 Y B 0.0008
33 D B 0.0000
34 M B 0.0000
35 S B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B -0.7676
40 A B -1.1810
41 P B -0.9660
42 G B -1.4682
43 K B -2.2601
44 G B -1.4677
45 L B 0.0000
46 E B -0.9619
47 W B 0.0000
48 V B 0.0000
49 S B 0.0000
50 T B 0.0000
51 I B 0.0000
52 D B 0.0000
53 L B -0.3881
54 D B -0.9282
55 S B -0.4513
56 G B 0.0000
57 S B 0.0000
58 I B 0.2700
59 Y B 0.1232
60 Y B -0.4151
61 A B -1.0529
62 D B -2.0611
63 S B -1.3802
64 V B 0.0000
65 Q B -2.0545
66 G B -1.6056
67 R B 0.0000
68 F B 0.0000
69 T B -0.2187
70 I B 0.0000
71 S B -0.1706
72 R B -0.8779
73 D B -1.5013
74 N B -1.7178
75 S B -1.5430
76 K B -2.2773
77 N B -1.5834
78 T B 0.0000
79 L B 0.0000
80 Y B 0.0217
81 L B 0.0000
82 Q B 0.0000
83 M B 0.0000
84 N B -0.7979
85 S B 0.0000
86 L B 0.0000
87 R B -1.3673
88 A B -1.1859
89 E B -2.0147
90 D B 0.0000
91 T B -0.6916
92 A B 0.0000
93 V B 0.1804
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 K B 0.0000
99 D B 0.0000
100 L B 0.2616
101 H B 0.0000
102 M B 0.0000
103 G B -0.3007
104 P B -0.7023
105 E B -1.4371
106 G B -0.7478
107 P B -0.4189
108 F B 0.0000
109 D B -0.8530
110 Y B -0.3507
111 W B 0.0000
112 G B 0.0000
113 Q B -1.1546
114 G B -0.4280
115 T B -0.1660
116 L B -0.0392
117 V B 0.0000
118 T B -0.3366
119 V B 0.0000
120 S B -0.4607
121 S B -0.3369
122 A B -0.3065
123 S B -0.2421
124 T B -0.5332
125 K B -0.8951
126 G B -1.2853
127 P B -0.6367
128 S B -0.3290
129 V B 0.0000
130 F B 0.0000
131 P B -1.1625
132 L B 0.0000
133 A B -1.3526
134 P B 0.0000
135 S B -0.9609
136 S B -0.7000
141 G B -0.7224
142 G B -0.8409
143 T B -0.6472
144 A B 0.0000
145 A B -0.1663
146 L B 0.0000
147 G B 0.0000
148 C B 0.0000
149 L B 0.0000
150 V B 0.0000
151 K B -0.3429
152 D B -0.4430
153 Y B 0.0000
154 F B 0.0000
155 P B 0.0000
156 E B -0.7250
157 P B -0.8382
158 V B 0.0000
159 T B -0.6448
160 V B -0.4279
161 S B -0.4182
162 W B 0.0000
163 N B -0.7951
164 S B -0.6755
165 G B -0.5835
166 A B -0.2576
167 L B -0.0194
168 T B -0.2112
169 S B -0.4337
170 G B -0.5623
171 V B -0.0018
172 H B -0.2260
173 T B -0.0391
174 F B 0.0000
175 P B -0.0818
176 A B 0.0724
177 V B 0.0000
178 L B 0.9038
179 Q B 0.0225
180 S B -0.2511
181 S B -0.2191
182 G B -0.0017
183 L B 0.1060
184 Y B 0.2477
185 S B 0.0000
186 L B 0.0000
187 S B 0.0000
188 S B 0.0000
189 V B 0.0000
190 V B 0.0000
191 T B -0.2259
192 V B 0.0000
193 P B -0.5159
194 S B -0.5950
195 S B -0.5515
196 S B -0.6139
197 L B -0.8811
198 G B -1.1052
199 T B -1.0037
200 Q B -1.3749
201 T B -1.2036
202 Y B 0.0000
203 I B -1.2603
204 C B 0.0000
205 N B -1.4857
206 V B 0.0000
207 N B -1.9415
208 H B 0.0000
209 K B -2.9904
210 P B -2.0540
211 S B -2.3779
212 N B -3.0837
213 T B -2.0490
214 K B -2.7232
215 V B -1.8185
216 D B -2.5801
217 K B -2.0783
218 K B -2.4245
219 V B 0.0000
220 E B -2.9295
221 P B -2.1927
222 K B -2.3537
2 S C 0.5433
3 V C 1.4908
4 L C 0.0000
5 T C -0.0002
6 Q C -0.3242
7 P C -0.7278
8 P C -1.0032
9 S C -1.0876
10 A C -0.7426
11 S C -0.7097
12 G C 0.0000
13 T C -1.0313
14 P C -1.5677
15 G C -1.7950
16 Q C -2.3362
17 R C -2.6904
18 V C 0.0000
19 T C -0.5912
20 I C 0.0000
21 S C -0.3863
22 C C 0.0000
23 S C -0.2273
24 G C -0.1604
25 S C -0.2846
26 S C -0.7674
27 S C -0.1582
28 N C 0.0000
29 I C 0.0000
30 G C -0.9367
31 S C -0.8535
32 N C 0.0000
33 S C -0.2900
34 V C 0.0000
35 S C 0.0000
36 W C 0.0000
37 Y C 0.0000
38 Q C -0.4860
39 Q C -0.5593
40 L C -0.4106
41 P C -0.3794
42 G C -0.6468
43 T C -0.6434
44 A C -0.7250
45 P C 0.0000
46 K C -1.0548
47 L C 0.0000
48 L C 0.0000
49 I C 0.0000
50 Y C 0.0000
51 S C -0.7669
52 D C 0.0000
53 N C -1.2561
54 H C -1.4847
55 R C -1.6637
56 P C -1.2172
57 S C -0.8453
58 G C -0.8800
59 V C -1.0380
60 P C -1.3911
61 D C -2.3334
62 R C -1.6501
63 F C 0.0000
64 S C -1.0402
65 G C -0.7211
66 S C -0.7815
67 K C -0.9770
68 S C -0.8231
69 G C -0.8472
70 T C -0.6956
71 S C -0.7116
72 A C 0.0000
73 S C -0.4915
74 L C 0.0000
75 A C -0.8697
76 I C 0.0000
77 S C -1.9625
78 G C -1.8036
79 L C 0.0000
80 R C -2.1453
81 S C -1.7717
82 E C -2.3037
83 D C 0.0000
84 E C -1.3189
85 A C 0.0000
86 D C 0.0000
87 Y C 0.0000
88 Y C 0.0000
89 C C 0.0000
90 Q C 0.0000
91 G C 0.0000
92 W C 0.0000
93 D C 0.0000
94 T C 0.1082
95 S C 0.2950
96 L C 0.7820
97 S C 0.1398
98 G C 0.0000
99 H C 0.0000
100 V C 0.0000
101 F C 0.0000
102 G C 0.0000
103 G C -0.8530
104 G C -1.1525
105 T C 0.0000
106 K C -1.9591
107 L C 0.0000
108 T C -0.6466
109 V C 0.0000
110 L C -0.3283
111 G C -0.8434
112 Q C -1.2436
113 P C -1.3432
114 K C -2.2849
115 A C -1.3105
116 A C -0.7194
117 P C 0.0000
118 S C -0.5210
119 V C 0.0000
120 T C -0.4643
121 L C -0.4042
122 F C 0.0000
123 P C -0.1672
124 P C 0.0000
125 S C -1.0984
126 S C -1.6310
127 E C -2.1964
128 E C 0.0000
129 L C -2.0396
130 Q C -2.3459
131 A C -1.9383
132 N C -2.8487
133 K C -2.9315
134 A C 0.0000
135 T C 0.0000
136 L C 0.0000
137 V C 0.0000
138 C C 0.0000
139 L C 0.0000
140 I C 0.0000
141 S C -0.4679
142 D C -1.2105
143 F C 0.0000
144 Y C 0.0000
145 P C -0.9472
146 G C -0.5454
147 A C -0.2161
148 V C -0.1462
149 T C -0.1005
150 V C -0.0928
151 A C -0.4833
152 W C 0.0000
153 K C -0.9803
154 A C 0.0000
155 D C -1.4306
156 S C -0.9633
157 S C -0.7936
158 P C -0.8869
159 V C -0.8536
160 K C -1.7084
161 A C -0.9439
162 G C -0.9028
163 V C -0.6533
164 E C -0.7513
165 T C -0.1932
166 T C 0.0000
167 T C -0.0989
168 P C -0.2532
169 S C -0.5702
170 K C -1.2346
171 Q C -1.3688
172 S C -1.3940
173 N C -2.0812
174 N C -2.0592
175 K C -1.7895
176 Y C -0.8868
177 A C 0.0000
178 A C 0.0000
179 S C 0.0000
180 S C 0.0000
181 Y C 0.0000
182 L C 0.0000
183 S C -0.7279
184 L C 0.0000
185 T C -1.9363
186 P C -2.5943
187 E C -3.1857
188 Q C -2.3119
189 W C 0.0000
190 K C -3.0332
191 S C -2.3955
192 H C -2.3282
193 K C -2.3999
194 S C -1.6456
195 Y C 0.0000
196 S C 0.0000
197 C C 0.0000
198 Q C -1.0267
199 V C 0.0000
200 T C -0.6939
201 H C 0.0000
202 E C -2.3040
203 G C -1.4524
204 S C -0.8742
205 T C -0.7125
206 V C -0.7155
207 E C -2.1592
208 K C -1.9807
209 T C -1.0251
210 V C -0.6088
211 A C -1.3056
212 P C -1.5906
213 T C -1.6232
214 E C -1.8359
308 I D 1.4138
309 P D -0.2576
310 K D -1.0840
311 A D -1.1545
312 C D -1.0663
313 E D -1.8002
314 G D -0.9762
315 T D 0.0000
316 G D 0.0000
317 S D -0.7148
318 G D -1.3096
319 S D -1.4069
320 R D -1.8878
321 F D -0.3351
322 Q D -0.5277
323 T D 0.0000
324 V D 0.0000
325 D D 0.0000
326 S D -1.1070
327 S D -0.4738
328 N D 0.0000
329 I D 0.0000
330 D D -2.1041
331 G D -1.5355
332 F D 0.0000
333 V D -0.9095
334 N D -1.2879
335 C D 0.0000
336 T D -1.1702
337 K D -1.6326
338 I D 0.0000
339 L D -0.0242
340 G D -0.5981
341 N D 0.0000
342 L D 0.0000
343 D D 0.0000
344 F D 0.0000
345 L D 0.0000
346 I D 0.6965
347 T D -0.1315
348 G D 0.0000
349 L D 0.0000
350 N D -1.3229
351 G D -1.0953
352 D D -1.0299
353 P D -1.0824
354 W D -0.0505
355 H D -1.3292
356 K D -1.8588
357 I D -1.0552
358 P D -1.3007
359 A D -1.2497
360 L D 0.0000
361 D D -2.8568
362 P D -2.2925
363 E D -2.9394
364 K D -2.6350
365 L D 0.0000
366 N D -1.3607
367 V D -1.1963
368 F D 0.0000
369 R D -1.3415
370 T D -1.1546
371 V D 0.0000
372 R D -1.7420
373 E D -1.3750
374 I D 0.0000
375 T D -0.6427
376 G D 0.0000
377 Y D 0.0000
378 L D 0.0000
379 N D 0.0000
380 I D 0.0000
381 Q D 0.0000
382 S D 0.0075
383 W D 0.0000
384 P D 0.0000
385 P D -0.9770
386 H D -1.4600
387 M D -1.2464
388 H D -1.4047
389 N D -1.1011
390 F D 0.0000
391 S D -0.9154
392 V D 0.0000
393 F D 0.0000
394 S D -1.4340
395 N D -1.5840
396 L D 0.0000
397 T D -1.6940
398 T D -1.4005
399 I D 0.0000
400 G D 0.0000
401 G D 0.0000
402 R D -1.8259
403 S D -1.0862
404 L D 0.0000
405 Y D 0.0000
406 N D -0.3878
407 R D 0.0000
408 G D 0.0000
409 F D 0.0000
410 S D 0.0000
411 L D 0.0000
412 L D 0.0000
413 I D 0.0000
414 M D 0.0000
415 K D -1.4411
416 N D 0.0000
417 L D -0.8013
418 N D -1.5118
419 V D 0.0000
420 T D -1.1226
421 S D 0.0000
422 L D 0.0000
423 G D -1.1227
424 F D 0.0000
425 R D -2.3769
426 S D -1.8538
427 L D 0.0000
428 K D -2.8340
429 E D -2.3095
430 I D 0.0000
431 S D -1.1685
432 A D -0.8490
433 G D 0.0000
434 R D -0.7378
435 I D 0.0000
436 Y D 0.0000
437 I D 0.0000
438 S D 0.0000
439 A D -1.4834
440 N D 0.0000
441 R D -2.7957
442 Q D -2.1387
443 L D 0.0000
444 C D 0.0000
445 Y D 0.0000
446 H D 0.0000
447 H D -0.3242
448 S D -0.1771
449 L D 0.0000
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66 G E -1.6225
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24 G F -0.2380
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40 L F -0.5527
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184 L F -1.0773
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187 E F -3.2115
188 Q F -2.5400
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193 K F -2.3703
194 S F -1.4733
195 Y F 0.0000
196 S F -1.0848
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198 Q F -1.1933
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200 T F -0.7186
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202 E F -2.2668
203 G F -1.3902
204 S F -0.8148
205 T F -0.7488
206 V F -0.8150
207 E F -2.2542
208 K F -1.9090
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210 V F -0.7074
211 A F -1.3234
212 P F -1.4695
213 T F -1.4249
214 E F -1.8331
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Laboratory of Theory of Biopolymers 2018