Project name: c9cc27204214a85

Status: done

Started: 2026-04-29 15:51:44
Settings
Chain sequence(s) A: AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSWGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTIGGQSGGEEAAAKEAAAKEAAAKQQPGTSTPEVHPKLTTYKCTKSGGCVAQDTSVVLDWNYRWMHDANYNSCTVNGGVNTTLCPDEATCGKNCFIEGVDYAASGVTTSGSSLTMNQYMPSSSGGYSSVSPRLYLLDSDGEYVMLKLNGQELSFDVDLSALPCGENGSLYLSQMDENGGANQYNTAGANYGSGYCDAQCPVQTWRNGTLNTSHQGFCCNEMDILEGNSRANALTPHSCTATACDSAGCGFNPYGSGYKSYYGPGDTVDTSKTFTIITQFNTDNGSPSGNLVSITRKYQQNGVDIPSAQPGGDTISSCPSASAYGGLATMGKALSSGMVLVFSIWNDNSQYMNWLDSGNAGPC
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                                          (00:03:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:48)
Show buried residues

Minimal score value
-3.5911
Maximal score value
2.0093
Average score
-0.5794
Total score value
-324.4884

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 A A 0.0086
2 I A -0.2351
3 T A -0.6423
4 S A -0.9354
5 N A -1.4298
6 E A -0.6519
7 I A 1.1680
8 G A 0.4615
9 T A -0.5402
10 H A -1.5386
11 D A -2.4049
12 G A -1.5643
13 Y A -1.1399
14 D A -0.6164
15 Y A 0.0000
16 E A 0.0000
17 F A 0.0000
18 W A -0.3041
19 K A -1.1308
20 D A -1.3811
21 S A -1.1281
22 G A -1.6093
23 G A -1.7295
24 S A -1.1920
25 G A 0.0000
26 S A -0.5179
27 M A 0.0000
28 T A -0.4473
29 L A -0.6998
30 N A -1.4826
31 S A -1.2062
32 G A -1.1616
33 G A 0.0000
34 T A -0.4675
35 F A 0.0000
36 S A -0.5914
37 A A 0.0000
38 Q A -1.6103
39 W A 0.0000
40 S A -1.7238
41 N A -2.1849
42 V A 0.0000
43 N A -1.8085
44 N A -1.0425
45 I A 0.0000
46 L A 0.0000
47 F A 0.0000
48 R A 0.0000
49 K A 0.0000
50 G A 0.0000
51 K A -0.7293
52 K A -0.9975
53 F A -1.2777
54 D A -2.3575
55 E A -2.3817
56 T A -1.7185
57 Q A -1.7412
58 T A -1.4662
59 H A 0.0000
60 Q A -1.9876
61 Q A -1.9550
62 I A -0.7874
63 G A -1.1338
64 N A -1.0782
65 M A 0.0000
66 S A -0.3820
67 I A 0.0000
68 N A -1.2078
69 Y A 0.0000
70 G A 0.0000
71 A A 0.0000
72 T A -0.3654
73 Y A -0.8838
74 N A -1.8350
75 P A -1.4648
76 N A -2.0619
77 G A -1.1866
78 N A -0.4548
79 S A 0.0000
80 Y A 0.0000
81 L A 0.0000
82 T A 0.0000
83 V A 0.0000
84 Y A 0.0000
85 G A 0.0000
86 W A 0.0000
87 T A 0.0000
88 V A 0.0000
89 D A -2.1706
90 P A -1.4368
91 L A -0.8418
92 V A 0.0000
93 E A 0.0000
94 F A 0.0000
95 Y A 0.0000
96 I A 0.0000
97 V A 0.0000
98 D A 0.0000
99 S A 0.0000
100 W A -0.4308
101 G A -0.5689
102 T A -0.1258
103 W A 0.4415
104 R A -0.3549
105 P A 0.0000
106 P A -0.3758
107 G A -0.5191
108 G A -0.8760
109 T A -0.8482
110 P A -1.1858
111 K A -1.6513
112 G A -0.8492
113 T A -0.4802
114 I A -0.3451
115 N A -1.0817
116 V A 0.0000
117 D A -1.1582
118 G A -0.9895
119 G A -0.8152
120 T A -0.5066
121 Y A 0.0000
122 Q A -0.6846
123 I A 0.0000
124 Y A 0.0000
125 E A -0.9691
126 T A -0.5390
127 T A -0.6214
128 R A -1.0552
129 Y A -0.0747
130 N A -1.3004
131 Q A -1.2803
132 P A -1.0913
133 S A -0.9261
134 I A -0.2478
135 K A -1.5944
136 G A -1.3696
137 T A -1.0639
138 A A -1.0228
139 T A -0.5837
140 F A 0.0000
141 Q A -0.6491
142 Q A 0.0000
143 Y A 0.0000
144 W A 0.0000
145 S A 0.0000
146 V A 0.0000
147 R A -0.8739
148 T A -0.7423
149 S A -1.1369
150 K A -1.8595
151 R A -1.1049
152 T A -0.5336
153 S A -0.5256
154 G A -0.7243
155 T A -0.7607
156 I A 0.0000
157 S A 0.0000
158 V A 0.0000
159 S A 0.0000
160 E A 0.0000
161 H A 0.0000
162 F A 0.0000
163 R A -1.2115
164 A A -0.5162
165 W A 0.0000
166 E A -1.1785
167 S A -0.6086
168 L A -0.4026
169 G A -0.8072
170 M A 0.0000
171 N A -1.8232
172 M A 0.0000
173 G A 0.0000
174 N A -1.7525
175 M A 0.0000
176 Y A -0.7072
177 E A 0.0000
178 V A 0.0000
179 A A 0.0000
180 L A 0.0000
181 T A 0.0000
182 V A 0.0000
183 E A 0.0000
184 G A 0.0000
185 Y A -0.4004
186 Q A -1.8142
187 S A 0.0000
188 S A -1.7628
189 G A -1.5682
190 S A -1.4272
191 A A 0.0000
192 N A -0.8312
193 V A 0.0000
194 Y A 0.7952
195 S A 0.1024
196 N A 0.0000
197 T A -0.3057
198 L A -0.0011
199 T A -0.0395
200 I A 0.4023
201 G A -0.6182
202 G A -0.8676
203 Q A -1.9455
204 S A 0.0000
205 G A -1.7127
206 G A 0.0000
207 E A -3.1731
208 E A -3.4674
209 A A 0.0000
210 A A -1.9702
211 A A -2.6865
212 K A -3.5911
213 E A -2.8865
214 A A -2.1295
215 A A -2.6586
216 A A -2.2254
217 K A -3.0093
218 E A -3.2019
219 A A -2.0307
220 A A -1.4603
221 A A -1.8390
222 K A -1.8002
223 Q A 0.0000
224 Q A -0.9033
225 P A -0.5355
226 G A -0.1618
227 T A -0.3126
228 S A -0.1379
229 T A -0.2653
230 P A -0.2049
231 E A 0.0833
232 V A 0.9822
233 H A -0.1583
234 P A -0.6183
235 K A -2.1929
236 L A 0.0000
237 T A -0.9876
238 T A -0.1145
239 Y A 1.0942
240 K A 0.0056
241 C A 0.3205
242 T A -0.6537
243 K A -1.7758
244 S A -1.1722
245 G A -0.7760
246 G A -0.1817
247 C A 1.2192
248 V A 2.0093
249 A A 0.7982
250 Q A -0.6586
251 D A -2.4885
252 T A 0.0000
253 S A -1.3558
254 V A 0.0000
255 V A 0.0000
256 L A 0.0000
257 D A 0.0000
258 W A 0.0000
259 N A -0.7252
260 Y A 0.2750
261 R A 0.0000
262 W A 0.8727
263 M A 0.0000
264 H A 0.0000
265 D A 0.0000
266 A A -0.4496
267 N A -0.9880
268 Y A 0.2725
269 N A -0.9280
270 S A 0.0311
271 C A 0.0000
272 T A 0.0720
273 V A 0.5605
274 N A -0.8671
275 G A -0.8317
276 G A -0.3483
277 V A 0.1815
278 N A -0.1432
279 T A -0.1520
280 T A -0.2288
281 L A -0.4465
282 C A 0.0000
283 P A -0.7507
284 D A -1.1791
285 E A -1.3586
286 A A -1.1103
287 T A -1.0221
288 C A 0.0000
289 G A 0.0000
290 K A -1.8181
291 N A -1.1022
292 C A 0.0000
293 F A 0.1314
294 I A 0.0000
295 E A 0.0000
296 G A 0.0000
297 V A -0.2628
298 D A -1.4858
299 Y A 0.0000
300 A A -0.5252
301 A A -0.4714
302 S A -0.2933
303 G A 0.0000
304 V A 0.0000
305 T A -0.3453
306 T A -0.6717
307 S A -0.8410
308 G A -1.0403
309 S A -0.7918
310 S A -0.8018
311 L A -0.1591
312 T A -0.3170
313 M A -0.0880
314 N A -0.4140
315 Q A 0.0000
316 Y A 0.7375
317 M A 0.5064
318 P A 0.1647
319 S A -0.1115
320 S A -0.4351
321 S A -0.5219
322 G A -0.6467
323 G A -0.1555
324 Y A 0.9639
325 S A 0.4528
326 S A 0.3335
327 V A 0.5041
328 S A 0.1122
329 P A 0.0000
330 R A -0.1474
331 L A 0.0000
332 Y A 0.0000
333 L A 0.0000
334 L A 0.0000
335 D A -2.4950
336 S A -2.3236
337 D A -2.6733
338 G A -1.9510
339 E A -2.2149
340 Y A 0.0000
341 V A -0.7895
342 M A -0.6612
343 L A -0.5712
344 K A -2.0657
345 L A 0.0000
346 N A 0.0000
347 G A -1.9077
348 Q A -1.8412
349 E A -1.6491
350 L A -0.5861
351 S A -0.4618
352 F A -0.5852
353 D A -2.0599
354 V A -1.7609
355 D A -2.5509
356 L A 0.0000
357 S A -1.2635
358 A A -0.6102
359 L A -0.3732
360 P A -0.0719
361 C A 0.1576
362 G A -0.1631
363 E A -0.2473
364 N A 0.0000
365 G A 0.0000
366 S A 0.0000
367 L A 0.0000
368 Y A 0.0000
369 L A 0.0000
370 S A 0.0000
371 Q A -0.7390
372 M A 0.0000
373 D A -1.8526
374 E A -2.0398
375 N A -1.8580
376 G A 0.0000
377 G A -1.0361
378 A A -1.0132
379 N A -1.1447
380 Q A -1.4723
381 Y A -1.1323
382 N A 0.0000
383 T A -0.7522
384 A A 0.0000
385 G A 0.0000
386 A A 0.0000
387 N A -0.8974
388 Y A 0.0000
389 G A 0.0000
390 S A 0.0000
391 G A 0.0000
392 Y A 0.0000
393 C A 0.0000
394 D A 0.0000
395 A A 0.0000
396 Q A -0.9402
397 C A -0.1749
398 P A 0.1349
399 V A 0.8019
400 Q A -0.1339
401 T A -0.4832
402 W A 0.0000
403 R A -0.8870
404 N A -0.9413
405 G A 0.0000
406 T A -0.7595
407 L A 0.0000
408 N A 0.0000
409 T A -1.0621
410 S A -1.0007
411 H A -1.3568
412 Q A -1.3460
413 G A -0.3244
414 F A -0.1085
415 C A -0.0181
416 C A 0.0000
417 N A 0.0000
418 E A 0.0000
419 M A 0.0000
420 D A 0.0000
421 I A 0.0000
422 L A 0.0000
423 E A -0.2356
424 G A 0.0000
425 N A 0.0000
426 S A 0.0000
427 R A -0.6745
428 A A 0.0000
429 N A 0.0000
430 A A 0.0000
431 L A 0.0000
432 T A 0.0000
433 P A 0.0000
434 H A 0.0000
435 S A 0.0000
436 C A 0.0000
437 T A 0.0225
438 A A 0.0968
439 T A 0.0460
440 A A -0.0823
441 C A 0.0000
442 D A 0.0000
443 S A -0.5556
444 A A -0.3121
445 G A -0.2467
446 C A -0.3197
447 G A -0.5169
448 F A 0.0000
449 N A -0.6642
450 P A 0.0000
451 Y A -1.1547
452 G A -1.2170
453 S A -0.8252
454 G A -1.0264
455 Y A -0.7076
456 K A -1.9468
457 S A -1.2002
458 Y A 0.0000
459 Y A 0.0000
460 G A 0.0000
461 P A -1.2286
462 G A -1.2238
463 D A -1.2250
464 T A -0.5474
465 V A 0.0000
466 D A -1.3522
467 T A 0.0000
468 S A -1.6943
469 K A -2.5636
470 T A -2.2917
471 F A 0.0000
472 T A -1.4044
473 I A 0.0000
474 I A -0.7134
475 T A 0.0000
476 Q A -1.1590
477 F A 0.0000
478 N A -1.5479
479 T A 0.0000
480 D A -2.8182
481 N A -2.6699
482 G A -2.0059
483 S A -1.5881
484 P A -1.5786
485 S A -1.3568
486 G A -2.0749
487 N A -2.3274
488 L A 0.0000
489 V A -0.2150
490 S A -0.2185
491 I A 0.0000
492 T A -0.4822
493 R A 0.0000
494 K A -1.4613
495 Y A 0.0000
496 Q A -1.3692
497 Q A 0.0000
498 N A -1.4978
499 G A -0.6874
500 V A 0.1936
501 D A -1.5194
502 I A -0.8541
503 P A -0.7913
504 S A -0.8851
505 A A -0.6310
506 Q A -0.6308
507 P A -0.7063
508 G A -0.7554
509 G A -0.7256
510 D A 0.0000
511 T A -0.4757
512 I A 0.0000
513 S A -0.1052
514 S A -0.2377
515 C A 0.0000
516 P A -0.4376
517 S A -0.3723
518 A A 0.0000
519 S A -0.3565
520 A A -0.0943
521 Y A 0.0149
522 G A -0.3175
523 G A -0.1315
524 L A -0.2234
525 A A -0.5725
526 T A -0.8264
527 M A 0.0000
528 G A 0.0000
529 K A -2.1964
530 A A 0.0000
531 L A 0.0000
532 S A -1.6593
533 S A -1.0760
534 G A 0.0000
535 M A 0.0000
536 V A 0.0000
537 L A 0.0000
538 V A 0.0000
539 F A 0.1654
540 S A 0.0000
541 I A 0.0000
542 W A -0.1485
543 N A -0.7368
544 D A -1.2200
545 N A -1.5489
546 S A -1.3190
547 Q A -1.3364
548 Y A -0.1868
549 M A 0.0000
550 N A -0.7893
551 W A 0.0507
552 L A 0.0000
553 D A 0.0000
554 S A -0.5109
555 G A -1.1274
556 N A -1.8286
557 A A -1.1923
558 G A 0.0000
559 P A -0.7672
560 C A -0.0224
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Laboratory of Theory of Biopolymers 2018