Project name: 2c84bd19e725016

Status: done

Started: 2026-05-18 06:21:40
Settings
Chain sequence(s) A: IFIEDSCLSVNGNVLLTGVPENVAISPAPYGSAFLGATSPTPGSRVFSLGTLQGFNFLSLFRFKIWWMTPKIGTSGSDIRVETQLLLIEAKEEYVLLNEAAEQSPDGTFYILVLPVLEGDFRASLQGSKANELQFCVESGDPDVQTTQVSESIFINSGDNPYELMKNSVKILAAKGTFRLDDKELPVLDWFGWCTWDAFYKDVKPEGIRQGFESLSKGGYTPRFLVLDEGWQDTFNEYEQDEAKTKDIDFGFETRLRDFKENDKFRNFRSDEYTTLPEFIKFLKQKYGLKYVYVWAILGCWGGVLPSSETFEKYSPQLVPVQSPGNLGNLRDIAMDGIEKYGMGVIDPEKIGDFYNDYSYLASIGVDGVKVDIQNVLETIGTEFGGRVCMTAKYQKGLEEAVAKNFVQNNLICSMSDSDLLSSSRKSAVIRTYEDFMPRELYPQTVVAAVSFNSLFLGEIAVADWDMFQSLYAADFTASRAVGGCSVYVSDKPGNDFDILKRLVLPDGSIMRARYAGR
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-3.7543
Maximal score value
1.8103
Average score
-0.5513
Total score value
-285.5822

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
3 I A 0.8349
4 F A 1.6001
5 I A 0.3159
6 E A -1.8255
7 D A -2.6634
8 S A -1.8412
9 C A -0.6008
10 L A 0.0000
11 S A 0.2052
12 V A 0.0000
13 N A -0.5011
14 G A -0.6485
15 N A -0.7728
16 V A 0.5206
17 L A 0.0000
18 L A 0.0000
19 T A -0.6331
20 G A -1.0280
21 V A 0.0000
22 P A -1.3248
23 E A -2.3816
24 N A -1.4891
25 V A 0.0000
26 A A -0.2620
27 I A 1.0001
28 S A 0.4026
29 P A 0.4192
30 A A 0.1112
31 P A -0.0769
32 Y A 0.3112
33 G A -0.2620
34 S A 0.0000
35 A A 0.0000
36 F A 0.1187
37 L A 0.0000
38 G A 0.0000
39 A A 0.0000
40 T A -0.8944
41 S A -0.3911
42 P A -0.6126
43 T A -0.6849
44 P A -1.3774
45 G A -1.5263
46 S A -1.9187
47 R A -1.6493
49 V A 1.6610
50 F A 1.2833
51 S A 0.2646
52 L A 0.0000
53 G A 0.0000
54 T A -0.7390
55 L A 0.0000
56 Q A -1.5791
57 G A -1.1004
58 F A -0.9649
59 N A -0.6423
60 F A 0.0000
61 L A 0.7757
62 S A 0.0000
63 L A 0.0000
64 F A 0.0000
65 R A 0.0000
66 F A 0.1043
67 K A -0.6473
68 I A 0.0000
69 W A 0.0000
70 W A 0.0000
71 M A 0.0000
72 T A 0.1026
73 P A 0.3251
74 K A 0.1115
75 I A 1.3690
76 G A 0.1328
77 T A -0.5112
78 S A -1.0777
79 G A 0.0000
80 S A -1.6017
81 D A -1.0806
82 I A 0.0000
83 R A -0.7892
84 V A -0.1606
85 E A 0.0000
86 T A 0.0000
87 Q A 0.0000
88 L A 0.2154
89 L A 0.0000
90 L A 0.3536
91 I A 0.0000
92 E A -1.2090
93 A A 0.0000
94 K A -2.9705
95 E A -3.0872
96 E A -1.8247
97 Y A 0.9157
98 V A 1.7179
99 L A 0.1649
100 L A 1.0132
101 N A -1.3091
102 E A -2.6275
103 A A -1.8873
104 A A -1.6640
105 E A -2.9030
106 Q A -2.5402
107 S A -2.2062
108 P A -1.8869
109 D A -2.1888
110 G A 0.0000
111 T A -1.5934
112 F A 0.0000
113 Y A -0.5669
114 I A 0.0000
115 L A 0.0000
116 V A 0.0000
117 L A 0.0000
118 P A 0.0000
119 V A 0.0000
120 L A 0.0000
121 E A -1.1139
122 G A -1.1611
123 D A -1.1536
124 F A 0.0000
125 R A 0.0000
126 A A 0.0000
127 S A 0.0000
128 L A 0.0000
129 Q A -0.2912
130 G A -1.1151
131 S A -1.3888
132 K A -2.0242
133 A A -1.2020
134 N A -1.5117
135 E A -1.2447
136 L A 0.0000
137 Q A 0.2401
138 F A 0.0000
139 C A 0.6115
140 V A 0.2052
141 E A 0.0000
142 S A 0.0000
143 G A 0.0000
144 D A 0.0000
145 P A -1.8477
146 D A -2.4209
147 V A -1.8294
148 Q A -2.2475
149 T A -1.5679
150 T A -1.2206
151 Q A -1.5375
152 V A -0.8401
153 S A -0.7149
154 E A -1.2048
155 S A 0.0000
156 I A 0.0000
157 F A 0.0000
158 I A 0.0000
159 N A 0.0000
160 S A -0.7281
161 G A -1.2641
162 D A -1.6176
163 N A -1.8885
164 P A -1.0457
165 Y A -0.9136
166 E A -2.4334
167 L A 0.0000
168 M A 0.0000
169 K A -2.4033
170 N A -2.2511
171 S A 0.0000
172 V A -1.6343
173 K A -2.4251
174 I A -0.8561
175 L A 0.0000
176 A A -1.4274
177 A A -0.8717
179 K A -1.4276
180 G A -1.2569
181 T A -1.0225
182 F A 0.0000
183 R A -3.5032
185 L A -2.1564
186 D A -2.9877
187 D A -3.7543
188 K A -3.1640
189 E A -2.6359
190 L A -1.1333
191 P A 0.0000
192 V A 0.1551
194 L A 0.0000
195 D A -0.5038
196 W A -0.2903
197 F A 0.0000
198 G A 0.0000
199 W A 0.0000
200 C A 0.0000
201 T A 0.0000
202 W A 0.0642
203 D A 0.0000
204 A A 0.0000
205 F A -0.5036
206 Y A -0.1778
207 K A -1.3630
208 D A -2.2031
209 V A 0.0000
210 K A -2.6603
211 P A 0.0000
212 E A -1.7959
213 G A 0.0000
214 I A 0.0000
215 R A -1.8274
216 Q A -2.4979
217 G A 0.0000
218 F A 0.0000
219 E A -2.6852
220 S A -2.2287
221 L A 0.0000
222 S A -1.7513
223 K A -2.2972
224 G A -1.5247
225 G A -1.0005
226 Y A -0.6838
227 T A -0.8696
228 P A 0.0000
229 R A -0.8924
230 F A 0.0000
231 L A 0.0000
232 V A 0.0000
233 L A 0.0000
234 D A 0.0000
235 E A 0.0000
236 G A 0.0000
237 W A 0.0000
238 Q A 0.0000
239 D A -0.9693
240 T A -0.1119
241 F A 0.8260
242 N A 0.0364
243 E A -0.2192
244 Y A -0.1959
245 E A -1.9662
246 Q A -1.9959
247 D A -2.7716
248 E A -2.3402
249 A A -2.0324
250 K A -2.6210
251 T A -2.3925
252 K A -2.7479
253 D A -2.2015
254 I A 0.0181
255 D A -1.3084
256 F A -1.2822
257 G A -1.0422
258 F A -0.2935
259 E A 0.0085
260 T A 0.1788
261 R A 0.0000
262 L A 0.0000
263 R A -1.0063
264 D A -1.0176
265 F A -0.4066
266 K A -1.0039
267 E A 0.0000
268 N A -1.7337
269 D A -2.3245
270 K A -1.8663
271 F A 0.0000
272 R A -1.2777
273 N A -0.7580
274 F A -0.2361
275 R A -1.3718
276 S A -0.9412
277 D A -1.0006
278 E A -1.1785
279 Y A 0.6453
280 T A 0.0823
281 T A -0.4500
282 L A 0.0000
283 P A -0.6237
284 E A -0.8702
285 F A 0.0000
286 I A 0.0000
287 K A -2.3162
288 F A -1.4319
289 L A 0.0000
290 K A -2.1620
291 Q A -2.6832
292 K A -2.6385
293 Y A -1.7730
294 G A -1.5096
295 L A 0.0000
296 K A -1.4883
297 Y A -0.5559
298 V A 0.0000
299 Y A 0.0000
300 V A 0.0000
301 W A 0.0000
303 A A 0.0833
304 I A 0.0000
305 L A 0.0000
306 G A 0.0000
307 C A 0.0000
308 W A 0.1931
309 G A 0.0000
310 G A 0.0000
311 V A 0.0000
312 L A 0.0403
313 P A -0.5038
314 S A -0.7260
315 S A -0.9403
316 E A -1.8586
317 T A -1.3685
318 F A -0.5439
319 E A 0.0000
320 K A -1.1815
321 Y A -0.2487
322 S A -0.6201
323 P A -0.9616
324 Q A -1.6793
325 L A -1.1551
326 V A 0.0000
328 P A -0.4146
329 V A 0.1269
330 Q A -0.0534
331 S A 0.0000
332 P A -0.3025
333 G A 0.0000
334 N A 0.0000
335 L A -0.7321
336 G A -0.8258
337 N A -0.7992
338 L A -1.3304
339 R A -2.5268
340 D A -2.4728
341 I A 0.0000
342 A A -0.9680
343 M A -0.7972
344 D A -1.5178
345 G A -0.9116
346 I A 0.0000
347 E A -1.2301
348 K A -1.7241
349 Y A -0.5712
350 G A 0.0000
351 M A 0.0000
352 G A 0.0000
353 V A 0.0000
354 I A 0.0000
355 D A -0.9009
356 P A -1.3009
357 E A -2.2546
358 K A -1.8823
359 I A 0.0000
360 G A -2.2882
361 D A -2.4924
362 F A 0.0000
363 Y A 0.0000
364 N A -2.1844
365 D A -1.9009
366 Y A -0.8567
368 S A -1.0691
369 Y A -0.3428
370 L A 0.0000
371 A A -0.3539
372 S A -0.1840
373 I A -0.2736
374 G A -0.5366
375 V A 0.0000
376 D A -0.2958
377 G A 0.0000
378 V A 0.0000
379 K A 0.0000
380 V A 0.0000
381 D A 0.0000
382 I A 0.0000
383 Q A 0.0000
384 N A 0.0000
385 V A 0.0000
386 L A 0.0000
387 E A 0.0000
388 T A 0.0000
389 I A 0.0000
390 G A 0.0000
391 T A -1.2822
392 E A -2.1645
393 F A -0.7370
394 G A -0.7609
395 G A 0.0000
396 R A 0.0000
397 V A 0.0000
398 C A -0.3263
399 M A 0.0000
400 T A 0.0000
401 A A -0.8895
402 K A -1.5975
403 Y A 0.0000
404 Q A 0.0000
405 K A -2.7452
406 G A 0.0000
407 L A 0.0000
408 E A 0.0000
409 E A -3.0135
410 A A 0.0000
411 V A 0.0000
412 A A -1.2098
413 K A -1.9191
414 N A -1.0866
415 F A 0.0000
416 V A 0.9055
417 Q A -0.1594
418 N A -0.6471
419 N A 0.0000
420 L A 0.0000
421 I A 0.0000
422 C A 0.0000
423 S A 0.0000
424 M A 0.0046
425 S A 0.0000
427 D A 0.0000
428 S A 0.0000
429 D A 0.0000
430 L A 0.0000
431 L A -0.1694
432 S A -0.4745
433 S A 0.0000
434 S A 0.0000
435 R A -2.5214
436 K A -3.1442
437 S A 0.0000
438 A A 0.0000
439 V A 0.0000
440 I A 0.0000
441 R A 0.0000
442 T A 0.0000
443 Y A 0.2504
444 E A -0.1858
445 D A -0.2200
446 F A -0.1349
447 M A -0.1419
448 P A -0.4211
449 R A -1.6811
450 E A -0.6043
451 L A 1.4155
452 Y A 1.6229
453 P A 0.8193
454 Q A 1.1794
455 T A 1.0728
456 V A 0.9298
458 V A 1.2774
459 A A 0.6481
460 A A 0.0000
461 V A 0.0000
462 S A 0.2967
463 F A 0.6528
464 N A 0.0000
465 S A 0.0000
466 L A 0.0000
467 F A 0.0000
468 L A 0.0000
469 G A 0.0000
470 E A -0.9415
471 I A 0.0000
472 A A 0.0000
473 V A 0.0000
474 A A 0.0000
475 D A 0.0000
476 W A 0.0000
477 D A 0.0000
478 M A 0.0000
479 F A 0.0000
480 Q A -0.0446
481 S A 0.0000
482 L A 0.9909
484 Y A 1.8103
485 A A 1.2654
486 A A 0.7100
487 D A -0.0425
488 F A 1.5697
490 T A 0.0000
491 A A 0.5287
492 S A 0.0000
493 R A 0.5387
494 A A 0.6546
495 V A 1.5988
496 G A 0.0000
497 G A 0.0000
498 C A 0.0000
499 S A 0.0000
500 V A 0.0000
501 Y A 0.0000
502 V A 0.0000
503 S A 0.0000
504 D A 0.0000
505 K A -1.7346
506 P A -1.8357
507 G A -1.9096
508 N A -1.4865
510 D A -0.7913
511 F A -0.7013
512 D A -2.2720
513 I A -1.6289
514 L A 0.0000
515 K A -2.7426
516 R A -2.6925
517 L A 0.0000
518 V A 0.0000
519 L A -0.2890
520 P A -0.8122
521 D A -1.1584
522 G A 0.0000
523 S A -0.2305
524 I A 0.0000
525 M A 0.6194
526 R A -0.0997
527 A A -0.1368
528 R A -0.9834
529 Y A 0.2167
530 A A 0.0000
531 G A 0.1402
532 R A -0.2761
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Laboratory of Theory of Biopolymers 2018