Project name: test5-13

Status: done

Started: 2026-06-25 19:28:18
Settings
Chain sequence(s) A: MNTQILIFALITTIPTNADKICLGHHSVSNGTKVNTLTEKGVEVVNATETVERTNTPMICSKGKRTVDLGQCGLLGTITGPPQCDKFLKFSADLIVERREGSDVCYPGKFMNEEALRQILRESGGIELLPGGAPTFTIEHPNSKEIKEKFLKKKPEEVLKEFIEEIKKMIEENAKIAGVKVEVKLEEKDPLETAEEAIKILAKEQKRLAATGKGLDKVAKDRDKVADGYTKLLTTMAVNKIIEQSDIQEKPITLTLLDSPIAPDRASFLRGKSMGIQSGVRVDPNCEGDCYHSGGTIISNLPFQNIDSRAVGKCPRYVRQKSLLLATGMKNVPEVPKRKRTARGLFGAIAGFIENGWEGLVDGWYGFRHQNAQGEGTAADYKSTQSAIDQITGKLNRLIAKTNQQFELIDNEFNEVETQIGNVINWTRDSITEVWSYNAEFLVAMENQHTIDLADSEMNKLYERVKRQLRENAEEDGTGCFEIFHKCDDDCMASIRNNTYDHRKYREEAMQNRIQIDPIKLSSGYKDVILWFSFGASCFILLAIVMGLVFICVKNGNMRCTICI
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                                          (00:16:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:45)
Show buried residues

Minimal score value
-4.4973
Maximal score value
4.9584
Average score
-0.7882
Total score value
-444.561

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 0.9850
2 N A 0.2505
3 T A 0.9362
4 Q A 1.0899
5 I A 3.4612
6 L A 4.0824
7 I A 4.3391
8 F A 4.6196
9 A A 3.6147
10 L A 4.4995
11 I A 4.1369
12 T A 2.3544
13 T A 1.9494
14 I A 2.3241
15 P A 0.4391
16 T A -0.2712
17 N A -1.4080
18 A A -1.5437
19 D A -1.8753
20 K A -2.1226
21 I A 0.0000
22 C A -0.7796
23 L A 0.0000
24 G A 0.0000
25 H A 0.0000
26 H A -0.2709
27 S A 0.0000
28 V A -0.7744
29 S A -0.8273
30 N A -1.6877
31 G A -1.4138
32 T A -1.5058
33 K A -2.5426
34 V A 0.0000
35 N A -2.4801
36 T A 0.0000
37 L A -1.1516
38 T A -1.3459
39 E A -2.5768
40 K A -3.1113
41 G A -2.2734
42 V A 0.0000
43 E A -1.6187
44 V A 0.0000
45 V A 0.0000
46 N A -1.6116
47 A A -0.9351
48 T A -0.4107
49 E A -0.6519
50 T A 0.0000
51 V A 0.0000
52 E A -1.3844
53 R A -2.2007
54 T A -0.8809
55 N A -0.6522
56 T A 0.0289
57 P A -0.6170
58 M A -0.5897
59 I A 0.0000
60 C A 0.0000
61 S A 0.0000
62 K A -3.0349
63 G A -2.2531
64 K A -2.3906
65 R A -2.5239
66 T A -1.5299
67 V A -0.7157
68 D A -1.0568
69 L A 0.0000
70 G A -1.7741
71 Q A -2.4835
72 C A 0.0000
73 G A 0.0000
74 L A 0.0000
75 L A 0.0000
76 G A 0.0000
77 T A 0.0000
78 I A 0.1609
79 T A -0.4305
80 G A -0.8583
81 P A 0.0000
82 P A -1.1654
83 Q A -1.4124
84 C A 0.0000
85 D A -2.9344
86 K A -2.8489
87 F A -1.8156
88 L A -1.6104
89 K A -2.3355
90 F A 0.0000
91 S A -1.4046
92 A A 0.0000
93 D A -2.0054
94 L A 0.0000
95 I A 0.0000
96 V A 0.0000
97 E A 0.0000
98 R A -2.2036
99 R A -3.3328
100 E A -3.2984
101 G A -2.2981
102 S A -1.1450
103 D A -0.2314
104 V A 0.3801
105 C A 1.0491
106 Y A 0.9383
107 P A -0.0025
108 G A -0.5030
109 K A -1.4074
110 F A -0.2567
111 M A 0.1708
112 N A -1.1435
113 E A -0.8185
114 E A -0.8974
115 A A -0.2225
116 L A 0.1147
117 R A 0.0000
118 Q A -0.6497
119 I A -0.0567
120 L A 0.0000
121 R A 0.0000
122 E A -2.2881
123 S A 0.0000
124 G A 0.0000
125 G A 0.0000
126 I A 0.0000
127 E A -0.8842
128 L A -0.3894
129 L A -0.0427
130 P A -1.1591
131 G A -1.6212
132 G A -1.0245
133 A A -0.5219
134 P A -0.0936
135 T A 0.8460
136 F A 2.0856
137 T A 1.4244
138 I A 1.7559
139 E A -1.0684
140 H A -1.3813
141 P A -1.4030
142 N A -2.5159
143 S A -2.7056
144 K A -3.7049
145 E A -3.4176
146 I A -2.0216
147 K A -3.4147
148 E A -4.1017
149 K A -2.9102
150 F A -1.0291
151 L A -1.5856
152 K A -3.0217
153 K A -2.9697
154 K A -3.4060
155 P A -3.1074
156 E A -3.9201
157 E A -4.3902
158 V A 0.0000
159 L A -3.2462
160 K A -4.3790
161 E A -4.2537
162 F A 0.0000
163 I A -2.9441
164 E A -4.0791
165 E A -3.9641
166 I A 0.0000
167 K A -3.3670
168 K A -3.7999
169 M A 0.0000
170 I A 0.0000
171 E A -3.6302
172 E A -3.4111
173 N A 0.0000
174 A A 0.0000
175 K A -2.7330
176 I A -1.3084
177 A A -1.5238
178 G A -1.1739
179 V A -1.1230
180 K A -2.3926
181 V A -2.2287
182 E A -2.6320
183 V A -1.7653
184 K A -2.6738
185 L A -2.6258
186 E A -4.0139
187 E A -4.2431
188 K A -4.4973
189 D A -3.7681
190 P A -2.7516
191 L A -1.9087
192 E A -3.7504
193 T A -3.3360
194 A A 0.0000
195 E A -2.2982
196 E A -3.2040
197 A A 0.0000
198 I A -1.6583
199 K A -2.6006
200 I A -1.6764
201 L A 0.0000
202 A A -1.9082
203 K A -2.7135
204 E A 0.0000
205 Q A 0.0000
206 K A -2.2820
207 R A -2.2527
208 L A 0.0000
209 A A -1.6703
210 A A -0.9168
211 T A -1.0993
212 G A -1.1916
213 K A -2.0097
214 G A -1.4950
215 L A -1.6427
216 D A -2.4166
217 K A -1.9914
218 V A 0.0000
219 A A -2.1284
220 K A -3.2155
221 D A 0.0000
222 R A -2.4512
223 D A -3.7042
224 K A -3.7480
225 V A 0.0000
226 A A 0.0000
227 D A -3.2484
228 G A -2.5590
229 Y A 0.0000
230 T A -1.4102
231 K A -1.9167
232 L A 0.0000
233 L A 0.0000
234 T A -0.4083
235 T A -0.6540
236 M A -0.6908
237 A A -0.1672
238 V A 0.2236
239 N A -0.8844
240 K A -1.6278
241 I A -0.6616
242 I A -0.8361
243 E A -2.5388
244 Q A -2.3242
245 S A -1.5954
246 D A -2.0443
247 I A -0.5250
248 Q A -2.1045
249 E A -2.7143
250 K A -2.1849
251 P A -0.2940
252 I A 2.0946
253 T A 1.6656
254 L A 2.8311
255 T A 1.8554
256 L A 2.3900
257 L A 1.5205
258 D A -0.6071
259 S A -0.0637
260 P A 1.0550
261 I A 1.5848
262 A A 0.1469
263 P A -0.9759
264 D A -2.5537
265 R A -2.5088
266 A A -0.3910
267 S A 0.3575
268 F A 1.1920
269 L A 0.2758
270 R A -1.6523
271 G A -1.8294
272 K A -2.5956
273 S A -2.0673
274 M A -1.2752
275 G A 0.0000
276 I A 0.0000
277 Q A 0.0000
278 S A 0.0000
279 G A -1.4222
280 V A -0.8271
281 R A -1.8338
282 V A -1.1534
283 D A -1.4962
284 P A -2.1864
285 N A -2.2506
286 C A -1.7635
287 E A -2.6476
288 G A -1.2392
289 D A -1.3836
290 C A 0.0000
291 Y A 0.0000
292 H A -0.3800
293 S A -0.5178
294 G A -0.5039
295 G A 0.0000
296 T A 0.0000
297 I A 0.0000
298 I A 0.6286
299 S A -0.3806
300 N A -1.1721
301 L A -0.5108
302 P A -0.6992
303 F A 0.0000
304 Q A 0.0000
305 N A -1.6288
306 I A -0.9170
307 D A -0.7436
308 S A -0.8639
309 R A -1.0316
310 A A 0.0000
311 V A 0.0000
312 G A 0.0000
313 K A -2.3825
314 C A -1.2366
315 P A -0.8826
316 R A -0.5444
317 Y A -0.6306
318 V A 0.0000
319 R A -2.7520
320 Q A -2.0212
321 K A -2.7413
322 S A -1.7320
323 L A 0.0000
324 L A -0.5484
325 L A 0.0000
326 A A 0.0000
327 T A -0.2464
328 G A 0.0000
329 M A 0.0000
330 K A 0.0000
331 N A 0.0000
332 V A -0.7069
333 P A -1.0550
334 E A -1.2493
335 V A 0.3252
336 P A -1.8658
337 K A -3.2154
338 R A -3.7408
339 K A -4.0213
340 R A -3.6650
341 T A -2.4715
342 A A -1.5987
343 R A -1.5805
344 G A 0.0000
345 L A 1.4322
346 F A 1.2151
347 G A 0.3393
348 A A 0.0000
349 I A 0.0000
350 A A -1.2551
351 G A -0.8226
352 F A -0.5116
353 I A 0.0000
354 E A -2.1213
355 N A -1.5144
356 G A 0.0000
357 W A 0.0000
358 E A -1.1057
359 G A -0.6388
360 L A 0.0000
361 V A 0.6132
362 D A -0.8121
363 G A -0.3440
364 W A 0.0028
365 Y A 0.0000
366 G A 0.0000
367 F A 0.0000
368 R A -1.5800
369 H A 0.0000
370 Q A -2.5652
371 N A -2.3980
372 A A -1.8573
373 Q A -2.2980
374 G A -2.2146
375 E A -2.8767
376 G A -1.8205
377 T A -1.1999
378 A A -0.2931
379 A A -0.2677
380 D A 0.0000
381 Y A -0.2422
382 K A -1.6126
383 S A -1.0488
384 T A 0.0000
385 Q A -1.6661
386 S A -1.4546
387 A A 0.0000
388 I A -0.8315
389 D A -2.1376
390 Q A -1.4812
391 I A 0.0000
392 T A -1.1888
393 G A -1.5026
394 K A 0.0000
395 L A -1.0137
396 N A -1.9658
397 R A -2.3202
398 L A -0.9727
399 I A -0.9452
400 A A -1.6677
401 K A -2.8274
402 T A -2.3435
403 N A -2.7495
404 Q A -2.8073
405 Q A -2.4514
406 F A -1.0605
407 E A -1.9692
408 L A -0.7580
409 I A -0.0444
410 D A -0.9481
411 N A 0.0000
412 E A -1.6686
413 F A -1.7326
414 N A -2.2526
415 E A -2.7338
416 V A -2.2078
417 E A -2.7611
418 T A -1.8738
419 Q A -1.7360
420 I A -1.2162
421 G A -1.6022
422 N A -1.8256
423 V A 0.0000
424 I A -0.6372
425 N A -1.4851
426 W A -0.6820
427 T A 0.0000
428 R A -1.4219
429 D A -2.1870
430 S A -1.1343
431 I A -0.6340
432 T A 0.0000
433 E A -1.9544
434 V A -0.3730
435 W A -0.4430
436 S A 0.0000
437 Y A 0.2088
438 N A -0.2355
439 A A 0.0000
440 E A -0.9760
441 F A -0.3051
442 L A 0.0000
443 V A 0.0000
444 A A 0.0000
445 M A 0.0000
446 E A -0.3726
447 N A 0.0000
448 Q A -0.6234
449 H A -0.3214
450 T A 0.0000
451 I A 0.0000
452 D A 0.0724
453 L A 0.1377
454 A A 0.0000
455 D A 0.0000
456 S A -0.1040
457 E A -1.0920
458 M A 0.0000
459 N A -1.1226
460 K A -2.2484
461 L A 0.0000
462 Y A 0.0000
463 E A -2.4405
464 R A -2.3256
465 V A 0.0000
466 K A -3.2725
467 R A -3.3582
468 Q A -2.5739
469 L A 0.0000
470 R A -3.6147
471 E A -2.6002
472 N A 0.0000
473 A A 0.0000
474 E A -2.9057
475 E A -2.6071
476 D A -2.0373
477 G A -1.2337
478 T A -0.9999
479 G A 0.0000
480 C A 0.0000
481 F A 0.0000
482 E A -2.1178
483 I A 0.0000
484 F A 0.0000
485 H A 0.0000
486 K A -2.2230
487 C A 0.0000
488 D A -3.0249
489 D A -3.0864
490 D A -2.7116
491 C A 0.0000
492 M A 0.0000
493 A A -1.7838
494 S A -1.8218
495 I A 0.0000
496 R A -1.3966
497 N A -2.1138
498 N A -2.2008
499 T A -1.3824
500 Y A 0.0000
501 D A -2.2826
502 H A -3.2448
503 R A -3.9348
504 K A -3.5866
505 Y A -3.1046
506 R A -3.9477
507 E A -3.7796
508 E A -3.2673
509 A A 0.0000
510 M A -1.5488
511 Q A -1.7299
512 N A -1.2163
513 R A -0.9447
514 I A 0.8869
515 Q A -0.2703
516 I A 0.8695
517 D A -0.6066
518 P A 0.0521
519 I A 1.0447
520 K A -0.8142
521 L A 0.0092
522 S A -0.5944
523 S A -1.0874
524 G A -0.6436
525 Y A 0.3785
526 K A -0.8110
527 D A -0.7800
528 V A 1.6172
529 I A 2.4327
530 L A 2.5513
531 W A 3.2200
532 F A 3.5408
533 S A 2.8954
534 F A 3.7336
535 G A 3.1722
536 A A 2.9633
537 S A 2.9467
538 C A 3.7283
539 F A 4.6150
540 I A 4.8527
541 L A 4.7833
542 L A 4.4975
543 A A 3.9936
544 I A 4.9584
545 V A 4.4602
546 M A 3.7040
547 G A 3.6552
548 L A 4.1244
549 V A 3.4658
550 F A 3.9353
551 I A 2.9820
552 C A 1.3624
553 V A 1.2576
554 K A -0.4781
555 N A -1.3020
556 G A -1.6661
557 N A -1.6369
558 M A -0.4472
559 R A -1.1499
560 C A 0.7659
561 T A 1.2466
562 I A 2.8641
563 C A 2.7617
564 I A 2.8989
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Laboratory of Theory of Biopolymers 2018