Project name: query_structure

Status: done

Started: 2026-03-17 00:02:12
Settings
Chain sequence(s) A: LCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
C: CVNLTAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRAYYVGYLQPRTFLLKYNENGTITDAVD
B: QVQLVESGGGLVQPGESLRLSCAASGSIFGIYAVHWFRMAPGKEREFTAGFGGSTNYAASVKGRFTMSRDNAKNTTYLQMNSLKPADTAVYYCHALIKNELGFLDYWGPGTQVTVS
input PDB
Selected Chain(s) A,C,B
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                                          (00:08:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:20)
Show buried residues

Minimal score value
-3.2391
Maximal score value
1.8651
Average score
-0.4598
Total score value
-249.2026

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
335 L A 1.5678
336 C A 0.5509
337 P A -0.3548
338 F A -0.2180
339 G A -0.9805
340 E A -2.2398
341 V A -1.1542
342 F A -0.8491
343 N A -1.8999
344 A A -1.2084
345 T A -0.7409
346 R A -0.5558
347 F A 0.0000
348 A A 0.0000
349 S A 0.0000
350 V A 0.0000
351 Y A 0.0000
352 A A 0.0000
353 W A 0.0000
354 N A -0.5869
355 R A -0.8889
356 K A -0.9843
357 R A -1.1668
358 I A -0.5350
359 S A -0.6707
360 N A -0.8522
361 C A 0.3923
362 V A 0.9145
363 A A 0.4245
364 D A -0.0780
365 Y A 0.0000
366 S A 0.2361
367 V A 0.8886
368 L A 0.0000
369 Y A 0.5324
370 N A -0.4929
371 S A 0.1596
372 A A 0.3971
373 S A 0.6832
374 F A 1.8651
375 S A 0.8192
376 T A 0.2526
377 F A 0.1193
378 K A -0.5474
379 C A -0.0374
380 Y A -0.1028
381 G A -0.4235
382 V A -0.1550
383 S A -0.5088
384 P A -0.3930
385 T A -0.8435
386 K A -1.9301
387 L A 0.0000
388 N A -1.6196
389 D A -2.2355
390 L A -0.6420
391 C A 0.4515
392 F A 0.0000
393 T A 0.3865
394 N A -0.1199
395 V A 0.0000
396 Y A -0.5599
397 A A 0.0000
398 D A 0.0000
399 S A 0.0000
400 F A 0.0000
401 V A 0.0000
402 I A 0.0000
403 R A -0.7174
404 G A 0.0000
405 D A -1.9999
406 E A 0.0000
407 V A -1.5190
408 R A -2.3982
409 Q A -1.9164
410 I A 0.0000
411 A A -1.2861
412 P A -1.7045
413 G A -2.2108
414 Q A -2.1348
415 T A -1.3684
416 G A -1.1690
417 K A -1.1010
418 I A 0.0000
419 A A -1.1881
420 D A -1.5742
421 Y A -0.8038
422 N A 0.0000
423 Y A 0.0000
424 K A -1.6847
425 L A 0.0000
426 P A -1.8906
427 D A -2.9755
428 D A -2.7229
429 F A -1.2158
430 T A -0.4295
431 G A 0.0000
432 C A 0.0000
433 V A 0.0000
434 I A 0.0000
435 A A 0.1463
436 W A 0.3000
437 N A 0.0951
438 S A 0.0000
439 N A -0.7267
440 N A -0.8486
441 L A 0.6869
442 D A 0.0000
443 S A 0.0000
444 K A -0.7249
445 V A 0.5605
446 G A -0.2499
447 G A -0.5998
448 N A 0.0000
449 Y A -0.4370
450 N A -0.0959
451 Y A 0.0000
452 L A 0.0000
453 Y A 0.0352
454 R A 0.0000
455 L A 0.1504
456 F A 0.0573
457 R A -1.4636
458 K A -2.1796
459 S A -1.9104
460 N A -2.2320
461 L A -2.1411
462 K A -2.4816
463 P A -1.7879
464 F A -1.1750
465 E A -2.2874
466 R A -1.4384
467 D A -0.5916
468 I A -0.1272
469 S A -0.4202
470 T A 0.0000
471 E A -1.2921
472 I A -0.3718
473 Y A -0.1855
474 Q A -0.3114
475 A A -0.0650
476 G A -0.1559
477 S A -0.4995
478 T A -0.4307
479 P A -0.6707
480 C A -0.6317
481 N A -1.3777
482 G A 0.0000
483 V A -0.3779
484 E A -0.4605
485 G A 0.3657
486 F A 1.5160
487 N A 0.1959
488 C A 0.0000
489 Y A 1.1660
490 F A 0.4562
491 P A 0.0000
492 L A 0.2875
493 Q A -0.5890
494 S A 0.0000
495 Y A 0.0000
496 G A -0.6304
497 F A 0.0000
498 Q A -1.3450
499 P A -1.2797
500 T A -0.6664
501 N A -1.1262
502 G A -0.2486
503 V A 0.7552
504 G A -0.4131
505 Y A -0.3889
506 Q A -0.6719
507 P A 0.0000
508 Y A 0.0000
509 R A -0.3413
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 0.0000
516 E A 0.3527
517 L A 1.6464
518 L A 1.4022
519 H A -0.3027
520 A A 0.0104
521 P A 0.0662
522 A A 0.3756
523 T A -0.0336
524 V A 0.0000
525 C A 0.1947
526 G A -0.8889
527 P A -1.0196
528 K A -2.0048
3 Q B -1.3186
4 V B 0.0000
5 Q B -0.8133
6 L B 0.0000
7 V B 0.8918
8 E B -0.0652
9 S B -0.5364
10 G B -1.2125
11 G B -0.8513
12 G B -0.1032
13 L B 1.0889
14 V B -0.0391
15 Q B -1.4109
16 P B -1.4970
17 G B -1.6811
18 E B -1.8181
19 S B -1.5488
20 L B 0.0000
21 R B -1.9378
22 L B 0.0000
23 S B -0.4184
24 C B 0.0000
25 A B -0.1625
26 A B -0.4380
27 S B -0.4535
28 G B -1.0190
29 S B -0.3221
30 I B 0.6724
31 F B 1.6444
32 G B 0.7019
33 I B 0.9575
34 Y B 0.8829
35 A B 0.0000
36 V B 0.3235
37 H B 0.0000
38 W B 0.0000
39 F B 0.0000
40 R B 0.0000
41 M B -0.9912
42 A B 0.0000
43 P B -1.0131
44 G B -1.3997
45 K B -2.3286
46 E B -2.9503
47 R B -2.2797
48 E B -1.5274
49 F B 0.0000
50 T B 0.0000
51 A B 0.0000
52 G B 0.0000
53 F B -0.1955
54 G B -0.8555
57 G B -0.6941
58 S B -0.6489
59 T B -0.5461
60 N B -0.5771
61 Y B -0.4194
62 A B -0.6698
63 A B -0.8227
64 S B -0.6403
65 V B 0.0000
66 K B -1.2708
67 G B -1.1742
68 R B -1.2646
69 F B 0.0000
70 T B -0.7987
71 M B -0.5663
72 S B -1.0955
73 R B -2.4457
74 D B -2.5010
75 N B -2.4158
76 A B -1.8266
77 K B -2.4793
78 N B -1.8085
79 T B -1.2436
80 T B -1.2141
81 Y B -0.8648
82 L B 0.0000
83 Q B -1.0351
84 M B 0.0000
85 N B -1.6445
86 S B -1.4936
87 L B 0.0000
88 K B -1.5137
89 P B -0.9382
90 A B -0.6239
91 D B 0.0000
92 T B -0.2334
93 A B 0.0000
94 V B -0.2983
95 Y B 0.0000
96 Y B 0.0943
97 C B 0.0000
98 H B 0.0000
99 A B 0.0000
100 L B 0.0000
101 I B 0.0000
102 K B -0.0665
103 N B 0.0000
104 E B -0.8502
105 L B 0.5431
106 G B -0.0847
107 F B 0.0000
108 L B -0.0220
109 D B 0.0000
110 Y B 0.0602
111 W B 0.1828
112 G B 0.0000
113 P B -0.1239
114 G B -0.1242
115 T B -0.6051
116 Q B -0.8938
117 V B 0.0000
118 T B -0.0848
119 V B 0.0000
120 S B -0.5612
15 C C 1.0526
16 V C 1.3390
17 N C 0.0357
18 L C 1.1090
19 T C 0.5051
27 A C 0.7087
28 Y C 1.1243
29 T C 0.2430
30 N C 0.0311
31 S C 0.0000
32 F C 1.1783
33 T C 0.6981
34 R C 0.0000
35 G C 0.0000
36 V C 0.2748
37 Y C 0.0000
38 Y C -1.2943
39 P C -1.4380
40 D C -2.2476
41 K C -1.7263
42 V C 0.9027
43 F C 0.9616
44 R C -1.4895
45 S C -1.5582
46 S C -1.2539
47 V C 0.2242
48 L C 1.0037
49 H C 0.0251
50 S C -0.4784
51 T C -1.1254
52 Q C -2.0790
53 D C -1.7291
54 L C -0.9789
55 F C 0.0000
56 L C 0.1708
57 P C 0.1628
58 F C 1.0567
59 F C 1.7660
60 S C 0.6979
61 N C 0.0347
62 V C 0.5453
63 T C 0.7056
64 W C 0.6771
65 F C 0.0883
66 H C -1.0771
80 D C -2.1636
81 N C -1.1603
82 P C -0.3114
83 V C 0.5268
84 L C 0.0173
85 P C -0.7234
86 F C -0.8805
87 N C -1.5842
88 D C -0.9596
89 G C 0.0000
90 V C 0.0000
91 Y C 0.0000
92 F C 0.4060
93 A C 0.0000
94 S C 0.0000
95 T C -0.7014
96 E C -0.6159
97 K C -1.8292
98 S C -0.8626
99 N C -0.4824
100 I C 0.8680
101 I C 0.0000
102 R C 0.2048
103 G C 0.0000
104 W C 0.1751
105 I C 0.0000
106 F C 0.0000
107 G C -0.5115
108 T C -0.8707
109 T C -0.4700
110 L C -0.3413
111 D C -1.6749
112 S C -2.0895
113 K C -2.5899
114 T C -1.6899
115 Q C -1.4229
116 S C 0.0000
117 L C 0.0000
118 L C 0.0000
119 I C 0.0000
120 V C 0.2368
121 N C 0.0230
122 N C -0.3869
123 A C -0.1792
124 T C -0.5982
125 N C -0.6579
126 V C 0.0000
127 V C 0.1934
128 I C 0.0000
129 K C -0.5417
130 V C 0.0000
131 C C 0.0000
132 E C -1.9363
133 F C 0.0000
134 Q C -1.3810
135 F C 0.0000
136 C C -0.6677
137 N C -1.1491
138 D C -0.6910
139 P C -0.2770
140 F C 0.4584
141 L C 0.2596
142 G C 0.0000
143 V C 0.0000
144 Y C 0.0723
145 Y C -0.0956
146 H C -1.8034
147 K C -2.9521
148 N C -3.2391
149 N C -3.0361
150 K C -2.6415
151 S C -0.9651
152 W C 0.9338
153 M C 0.7138
154 E C -0.0045
155 S C -0.2569
156 E C -0.6414
157 F C 0.5035
158 R C 0.1241
159 V C 0.0000
160 Y C 0.0596
161 S C -0.4497
162 S C -0.9173
163 A C -1.2588
164 N C -2.3096
165 N C -2.0733
166 C C -0.9903
167 T C -0.9004
168 F C 0.0000
169 E C -1.3998
170 Y C 0.1913
171 V C 1.2705
172 S C 0.0000
173 Q C -0.6809
174 P C -0.2227
175 F C 0.5876
176 L C 1.3378
184 G C -0.8746
185 N C -1.0283
186 F C -0.2772
187 K C -1.4599
188 N C -0.9943
189 L C 0.0000
190 R C 0.0000
191 E C 0.0000
192 F C 0.0000
193 V C 0.0000
194 F C -0.0071
195 K C 0.0000
196 N C -0.0932
197 I C 0.6230
198 D C -0.9589
199 G C -0.5744
200 Y C -0.0191
201 F C 0.0000
202 K C -0.6115
203 I C 0.0000
204 Y C 0.0000
205 S C 0.0000
206 K C -1.1253
207 H C -0.6881
208 T C -0.5447
209 P C -0.7936
210 I C -0.3724
211 N C -1.1204
212 L C -0.1077
213 V C 0.3575
214 R C -1.6549
215 D C -1.4117
216 L C -1.0787
217 P C -0.6969
218 Q C -1.3056
219 G C -0.3623
220 F C 0.8943
221 S C 0.0000
222 A C 0.0000
223 L C 0.0000
224 E C -2.2613
225 P C -1.5336
226 L C -0.3617
227 V C -0.6592
228 D C -1.5617
229 L C 0.0000
230 P C -0.5046
231 I C -0.4272
232 G C -0.3396
233 I C -0.4019
234 N C -1.1375
235 I C -0.7928
236 T C -1.0774
237 R C -1.0912
238 F C 0.0000
239 Q C 0.0000
240 T C 0.1905
241 L C 0.0000
242 L C 0.7080
243 A C 0.1250
244 L C -0.1376
245 H C -1.4583
246 R C -1.8149
264 A C 0.0000
265 Y C 0.1637
266 Y C 0.0000
267 V C 0.0000
268 G C 0.0000
269 Y C -0.1201
270 L C 0.0000
271 Q C -1.1546
272 P C -1.6137
273 R C -2.4459
274 T C -1.8624
275 F C 0.0000
276 L C -0.1580
277 L C 0.0000
278 K C -0.7043
279 Y C -1.3097
280 N C -2.1539
281 E C -3.0629
282 N C -2.4117
283 G C -1.6486
284 T C -1.3429
285 I C 0.0000
286 T C -0.9222
287 D C -0.5774
288 A C 0.0000
289 V C -0.2147
290 D C -1.4598
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Laboratory of Theory of Biopolymers 2018