Project name: test

Status: done

Started: 2026-03-12 15:21:35
Settings
Chain sequence(s) A: MATGSGAPMADNNEGADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:11)
Show buried residues

Minimal score value
-3.9309
Maximal score value
2.0642
Average score
-0.6111
Total score value
-325.7402

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 M A 1.0186
2 A A 0.4309
3 T A -0.1565
4 G A -0.5896
5 S A -0.6919
6 G A -0.6055
7 A A -0.1776
8 P A -0.0567
9 M A 0.2785
10 A A -0.8444
11 D A -2.7356
12 N A -3.1526
13 N A -3.3045
14 E A -3.2205
15 G A -1.8436
16 A A -1.6979
17 D A -1.7574
18 G A -0.8309
19 V A 0.5458
20 G A -0.5693
21 N A -1.5488
22 S A -1.3056
23 S A 0.0000
24 G A -1.1372
25 N A -1.1027
26 W A -0.0941
27 H A -0.7645
28 C A -0.4987
29 D A -1.0176
30 S A -0.5370
31 T A -0.1738
32 W A -0.2908
33 M A -0.3200
34 G A -1.5317
35 D A -2.6354
36 R A -1.6188
37 V A 0.0000
38 I A -0.1697
39 T A 0.0000
40 T A 0.0000
41 S A 0.0000
42 T A 0.0000
43 R A 0.0000
44 T A 0.6160
45 W A 0.0000
46 A A 0.6336
47 L A 0.0000
48 P A 0.0171
49 T A -0.2889
50 Y A -0.2529
51 N A -0.6914
52 N A -1.1095
53 H A -0.4024
54 L A -0.0643
55 Y A -0.0464
56 K A -1.0602
57 Q A -0.8328
58 I A -0.1459
59 S A -0.4257
60 S A 0.0000
61 Q A -1.5539
62 S A -1.1137
63 G A -1.3070
64 A A -1.4829
65 S A -1.7796
66 N A -2.6128
67 D A -2.4000
68 N A -2.3889
69 H A -2.0611
70 Y A -0.2913
71 F A 0.0000
72 G A 0.0000
73 Y A 0.3241
74 S A -0.1866
75 T A 0.0000
76 P A 0.0000
77 W A 0.0000
78 G A 0.0000
79 Y A 0.0000
80 F A 0.0000
81 D A 0.0000
82 F A 0.0000
83 N A 0.0000
84 R A -0.5630
85 F A 0.0000
86 H A 0.0000
87 C A 0.0000
88 H A 0.0000
89 F A 0.0000
90 S A -1.0475
91 P A -1.5406
92 R A -2.5243
93 D A -1.9596
94 W A 0.0000
95 Q A -2.1652
96 R A -2.4080
97 L A 0.0000
98 I A 0.0000
99 N A 0.0000
100 N A -2.1636
101 N A 0.0000
102 W A 0.0000
103 G A 0.0000
104 F A 0.0000
105 R A -0.6720
106 P A 0.0000
107 K A -1.2200
108 R A -1.0535
109 L A 0.0000
110 N A -0.8696
111 F A 0.0000
112 K A -0.6294
113 L A 0.0000
114 F A 0.0000
115 N A -1.1235
116 I A 0.0000
117 Q A -1.0364
118 V A 0.0000
119 K A -0.4634
120 E A 0.0637
121 V A 0.2385
122 T A -0.6618
123 Q A -2.1317
124 N A -2.8862
125 D A -2.9386
126 G A -2.0736
127 T A -1.6803
128 T A -0.8068
129 T A 0.1833
130 I A 1.2110
131 A A 0.1706
132 N A -0.9740
133 N A -0.5428
134 L A 0.3534
135 T A 0.0133
136 S A 0.0000
137 T A -0.4182
138 V A 0.0000
139 Q A -0.4057
140 V A 0.0000
141 F A 0.0000
142 T A -0.4032
143 D A 0.0000
144 S A -1.2869
145 E A -2.2248
146 Y A -1.2955
147 Q A -1.3510
148 L A 0.0000
149 P A 0.2388
150 Y A 0.0940
151 V A 0.2868
152 L A 0.0000
153 G A -0.4430
154 S A -0.5980
155 A A -0.8233
156 H A -1.5379
157 Q A -1.6961
158 G A -0.7255
159 C A -0.4856
160 L A 0.0000
161 P A 0.0000
162 P A 0.1667
163 F A 1.0523
164 P A 0.4461
165 A A 0.4287
166 D A 0.6358
167 V A 1.7618
168 F A 0.0000
169 M A 1.2279
170 V A 0.0000
171 P A 0.0000
172 Q A -0.3150
173 Y A 0.0000
174 G A -0.0244
175 Y A 0.0000
176 L A 1.9481
177 T A 1.2200
178 L A 0.3383
179 N A -0.6965
180 N A -1.9036
181 G A -1.8946
182 S A -1.6380
183 Q A -1.4764
184 A A -0.9993
185 V A -0.8968
186 G A -1.0928
187 R A -1.6458
188 S A -0.2962
189 S A 0.6496
190 F A 1.6734
191 Y A 1.1644
192 C A 0.8288
193 L A 0.0000
194 E A -0.3613
195 Y A 0.9339
196 F A 0.2179
197 P A -0.2114
198 S A -0.4424
199 Q A -0.6899
200 M A 0.0543
201 L A 0.0000
202 R A -1.3259
203 T A -1.0126
204 G A 0.0000
205 N A -1.4159
206 N A -1.1013
207 F A -0.3849
208 T A -0.4292
209 F A -0.0574
210 S A -0.4524
211 Y A -0.3337
212 T A -0.8913
213 F A 0.0000
214 E A -1.8585
215 D A -2.0524
216 V A 0.0000
217 P A -0.4250
218 F A 0.0939
219 H A 0.0000
220 S A -0.1245
221 S A 0.0000
222 Y A -0.4578
223 A A -0.7202
224 H A -0.9671
225 S A -1.0720
226 Q A -1.0700
227 S A -1.0448
228 L A 0.0000
229 D A -1.8289
230 R A -1.5147
231 L A -0.4877
232 M A -0.2739
233 N A -0.3076
234 P A 0.2978
235 L A 1.6732
236 I A 1.6449
237 D A -0.5107
238 Q A 0.4317
239 Y A 1.4937
240 L A 1.6520
241 Y A 2.0642
242 Y A 1.0287
243 L A 1.2255
244 S A -0.1546
245 R A -1.6767
246 T A -1.4465
247 N A -2.6514
248 T A -1.8414
249 P A -1.2222
250 S A -1.0101
251 G A -0.7787
252 T A -0.4141
253 T A -0.6498
254 T A -1.4801
255 Q A -2.0989
256 S A -2.0868
257 R A -1.9603
258 L A -0.0061
259 Q A 0.0352
260 F A 1.6321
261 S A 0.6283
262 Q A 0.0863
263 A A 0.0000
264 G A -0.8313
265 A A -0.4172
266 S A -0.9961
267 D A -1.7471
268 I A -1.9482
269 R A -3.1377
270 D A -2.6228
271 Q A 0.0000
272 S A -1.0358
273 R A -1.7118
274 N A -1.2082
275 W A 0.2376
276 L A 0.8060
277 P A 0.5576
278 G A 0.0000
279 P A 0.3828
280 C A 0.0000
281 Y A -0.5495
282 R A -1.3607
283 Q A 0.0000
284 Q A -1.4386
285 R A -1.6550
286 V A -1.4848
287 S A 0.0000
288 K A -1.8420
289 T A -1.2437
290 S A -1.3095
291 A A -1.5353
292 D A -2.5971
293 N A -2.4910
294 N A -2.7522
295 N A -2.6502
296 S A -2.1334
297 E A -2.2562
298 Y A -1.1483
299 S A -0.4341
300 W A 0.1091
301 T A -0.2417
302 G A -0.6466
303 A A -0.4170
304 T A -0.2891
305 K A 0.0190
306 Y A 0.5897
307 H A -0.6361
308 L A 0.0939
309 N A -1.4713
310 G A -1.7384
311 R A -2.0634
312 D A -1.4767
313 S A -0.4643
314 L A 0.0004
315 V A 0.0000
316 N A -0.8341
317 P A 0.0000
318 G A 0.0000
319 P A -0.0183
320 A A 0.1573
321 M A 0.0000
322 A A 0.0000
323 S A 0.0000
324 H A 0.0000
325 K A -3.3949
326 D A -3.9309
327 D A -3.7256
328 E A -3.2532
329 E A -3.7265
330 K A -2.6405
331 F A -1.9754
332 F A -1.1292
333 P A 0.0000
334 Q A -0.7088
335 S A 0.0000
336 G A 0.0000
337 V A 0.0000
338 L A 0.0000
339 I A 1.4644
340 F A 0.2062
341 G A -1.6282
342 K A -2.5509
343 Q A -2.2155
344 G A -2.0553
345 S A -2.9488
346 E A -3.5369
347 K A -2.9188
348 T A -2.1012
349 N A -2.1423
350 V A -2.1533
351 D A -2.3434
352 I A -1.0590
353 E A -2.3695
354 K A -2.6772
355 V A -1.1079
356 M A 0.0000
357 I A 0.4353
358 T A 0.0000
359 D A -0.9620
360 E A 0.0000
361 E A -2.3176
362 E A -1.3577
363 I A 0.0000
364 R A -1.9830
365 T A -1.0675
366 T A 0.0000
367 N A 0.0000
368 P A 0.0000
369 V A 0.0000
370 A A 0.0000
371 T A -1.3968
372 E A -1.8629
373 Q A -1.7962
374 Y A -0.8219
375 G A -0.6951
376 S A -0.3206
377 V A 0.9974
378 S A 0.2781
379 T A -0.0323
380 N A -0.4451
381 L A -0.0138
382 Q A -2.3395
383 R A -3.2187
384 G A -2.6502
385 N A -2.8780
386 R A -2.8866
387 Q A -2.5677
388 A A -1.2892
389 A A -0.3535
390 T A -0.1307
391 A A -0.6458
392 D A -1.8435
393 V A -1.0292
394 N A -1.5493
395 T A -0.8793
396 Q A -0.2861
397 G A 0.0953
398 V A 1.2801
399 L A 0.9975
400 P A 0.4355
401 G A 0.2340
402 M A 0.9224
403 V A 1.1733
404 W A 0.3963
405 Q A 0.0000
406 D A -0.3663
407 R A 0.0000
408 D A 0.0000
409 V A 0.0000
410 Y A 0.0000
411 L A 0.0000
412 Q A 0.0000
413 G A 0.0000
414 P A -0.3669
415 I A 0.0000
416 W A 0.0000
417 A A -0.4750
418 K A -1.2500
419 I A 0.0000
420 P A -1.5439
421 H A -2.0099
422 T A -1.8125
423 D A -2.4711
424 G A -1.5821
425 H A -0.9885
426 F A 1.1448
427 H A 0.0727
428 P A -0.2687
429 S A -0.0111
430 P A 0.2935
431 L A 0.9150
432 M A 0.4861
433 G A 0.0000
434 G A 0.0272
435 F A 0.0000
436 G A -0.7602
437 L A 0.0000
438 K A -2.3450
439 H A -2.0871
440 P A 0.0000
441 P A 0.0000
442 P A 0.0000
443 Q A 0.0000
444 I A 0.0000
445 L A 0.0000
446 I A 0.0000
447 K A 0.0000
448 N A 0.0000
449 T A 0.1507
450 P A 0.0901
451 V A 0.3042
452 P A 0.0638
453 A A -0.2760
454 N A -1.3376
455 P A -0.6320
456 S A -0.2643
457 T A 0.0080
458 T A 0.6738
459 F A 1.7208
460 S A 0.5241
461 A A 0.1254
462 A A -0.3212
463 K A -1.2678
464 F A 0.0017
465 A A -0.1260
466 S A -0.2354
467 F A 0.3267
468 I A 0.6449
469 T A 0.2074
470 Q A 0.0000
471 Y A 0.1464
472 S A 0.0000
473 T A -0.0113
474 G A 0.0000
475 Q A -0.2579
476 V A 0.0000
477 S A -0.4932
478 V A 0.0000
479 E A -0.8595
480 I A 0.0000
481 E A -0.6930
482 W A 0.0000
483 E A -1.3142
484 L A 0.0000
485 Q A -2.2172
486 K A -3.2657
487 E A -2.5889
488 N A -2.7357
489 S A -2.3420
490 K A -2.5136
491 R A -2.1556
492 W A -0.4586
493 N A -1.1889
494 P A -0.5883
495 E A 0.0744
496 I A 1.4360
497 Q A 0.1200
498 Y A -0.2060
499 T A -0.2060
500 S A -0.7518
501 N A -1.3652
502 Y A -0.3599
503 N A -1.9002
504 K A -1.8399
505 S A -0.6050
506 V A 0.8808
507 N A -0.1714
508 V A 0.5095
509 D A -0.9060
510 F A -0.3649
511 T A 0.4177
512 V A 0.5333
513 D A -0.5467
514 T A -0.9747
515 N A -1.3334
516 G A -0.6049
517 V A 0.1274
518 Y A 0.3121
519 S A -0.4568
520 E A -1.0786
521 P A -1.2303
522 R A -1.4729
523 P A -0.5278
524 I A 0.0000
525 G A -0.2656
526 T A 0.0000
527 R A 0.0000
528 Y A 0.3458
529 L A 0.0000
530 T A -0.6554
531 R A -1.9163
532 N A -1.4116
533 L A 0.1258
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Laboratory of Theory of Biopolymers 2018