Project name: 60efd5091db04e3

Status: done

Started: 2026-05-19 01:06:29
Settings
Chain sequence(s) A: MSLAGPTLAQAQALTVGSRNVATADPLVPRPPTTPCTVTLFSGQQFADFNNKPFDYTPAAGCAGPWEKVVLAVDFSITGTRQYDRTARIWLGNSVIYFGTTQEPSIPGGGTTSWHVERDLTDYSALLAQAQSGYAELGNFVGTYNGVVYDGIITGTATLYFYSGGDGNDGKRPDQVLSLNQNGGIASLAQPSDQLSAAFSALPKNIERAYLDVFTQSQSADEFWFFDLPDDIAPLFQDTGSTAFKEALVTIDGQPAGISPIYPWIYTGGADPILWRPIPGVQTLSFEPYRLDLTPFVGVLGDGSAHTVAISVYNAANYFATAANLLLYLDAGASTVSGSVTTNTLSATPVVNVVENVTSAPDGSASGSVSVTSNRSYTITGTANTSHGAVTTQIDSKIAFSSVQQLATSNTVYQQDTVQRTDIDTLTTRTQGNGKGKGGTQTLHEVRSYPLTFDYDYITAADGSATLHSFADQEFQQRVDAGVSGNAIKTATRDNHVVTTVTRNYDASGALVTTPATASQTYTYADPFGACYSRKVEAQDRLLTAVTDGAGCPGGHNQLSWHDQFAKFVSNAWGATVKLLP
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:11)
Show buried residues

Minimal score value
-3.2672
Maximal score value
1.918
Average score
-0.3767
Total score value
-218.886

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 1.3859
2 S A 1.0107
3 L A 1.5943
4 A A 0.5157
5 G A 0.0155
6 P A -0.0256
7 T A 0.1039
8 L A 0.8308
9 A A 0.0000
10 Q A -0.9091
11 A A -0.6090
12 Q A -0.4115
13 A A -0.0029
14 L A 0.6693
15 T A 0.8162
16 V A 1.5226
17 G A 0.2220
18 S A 0.1752
19 R A -0.5198
20 N A -0.3285
21 V A -0.1326
22 A A 0.0000
23 T A -0.3561
24 A A 0.0000
25 D A -0.7202
26 P A 0.0000
27 L A -0.5529
28 V A 0.0000
29 P A -0.4188
30 R A -0.6729
31 P A 0.0000
32 P A -0.3651
33 T A -0.3400
34 T A -0.1621
35 P A -0.0268
36 C A 0.1536
37 T A 0.1919
38 V A 0.2171
39 T A -0.1690
40 L A 0.0000
41 F A 0.0000
42 S A -0.8150
43 G A -1.0579
44 Q A -1.1283
45 Q A -1.4999
46 F A 0.0000
47 A A -0.2225
48 D A -0.3487
49 F A 0.6391
50 N A -1.1778
51 N A -1.3910
52 K A -1.1153
53 P A -1.0131
54 F A -0.9667
55 D A -1.8866
56 Y A 0.0000
57 T A -0.8061
58 P A -0.4204
59 A A -0.1478
60 A A -0.1333
61 G A -0.4312
62 C A 0.0000
63 A A -0.3976
64 G A -0.6222
65 P A -0.9740
66 W A 0.0000
67 E A -1.3079
68 K A 0.0000
69 V A 0.0000
70 V A 0.0000
71 L A 0.0000
72 A A 0.0000
73 V A 0.0000
74 D A -1.6790
75 F A 0.0000
76 S A -0.5417
77 I A 0.0000
78 T A -0.3265
79 G A 0.0000
80 T A -0.8393
81 R A -0.8176
82 Q A 0.0000
83 Y A 0.8745
84 D A 0.0827
85 R A -0.1188
86 T A -0.3264
87 A A 0.0000
88 R A 0.0000
89 I A 0.0000
90 W A 0.0000
91 L A 0.0000
92 G A -1.1084
93 N A -1.2713
94 S A 0.0000
95 V A 0.0000
96 I A 0.0000
97 Y A 0.0000
98 F A 0.0000
99 G A 0.0000
100 T A 0.0000
101 T A 0.0000
102 Q A 0.0000
103 E A 0.0000
104 P A -0.4050
105 S A 0.0000
106 I A -0.1645
107 P A -0.4135
108 G A -0.5951
109 G A -0.7231
110 G A -0.3376
111 T A -0.1946
112 T A 0.0000
113 S A -0.5169
114 W A 0.0000
115 H A -0.8730
116 V A 0.0000
117 E A -0.5988
118 R A -0.4617
119 D A -0.4823
120 L A 0.0000
121 T A 0.0000
122 D A 0.0000
123 Y A 0.0000
124 S A -0.5771
125 A A -0.7284
126 L A 0.0000
127 L A 0.0000
128 A A -0.6791
129 Q A -1.2529
130 A A -1.0675
131 Q A -1.2047
132 S A -1.1114
133 G A 0.0000
134 Y A -0.8148
135 A A 0.0000
136 E A -0.7229
137 L A 0.0000
138 G A 0.0351
139 N A 0.0000
140 F A 1.1184
141 V A 0.7451
142 G A 0.7495
143 T A 0.9811
144 Y A 1.2045
145 N A -0.4495
146 G A -0.0133
147 V A 0.9036
148 V A 1.3801
149 Y A 0.0000
150 D A -0.4441
151 G A 0.0000
152 I A -0.1005
153 I A 0.0000
154 T A -0.8675
155 G A 0.0000
156 T A -0.9722
157 A A 0.0000
158 T A -0.1806
159 L A 0.0000
160 Y A 0.2259
161 F A 0.0000
162 Y A 0.0000
163 S A -0.7771
164 G A -1.2896
165 G A -1.9963
166 D A -2.7913
167 G A -2.3550
168 N A -2.6411
169 D A -2.2641
170 G A -1.5648
171 K A -1.4582
172 R A -0.9928
173 P A 0.0000
174 D A -1.2484
175 Q A -0.9447
176 V A 0.0000
177 L A -0.1000
178 S A 0.0000
179 L A 0.0000
180 N A 0.0000
181 Q A -1.9244
182 N A -1.9702
183 G A -1.2392
184 G A -0.6837
185 I A -0.0362
186 A A -0.3281
187 S A -0.5254
188 L A 0.0000
189 A A -1.1667
190 Q A -1.7670
191 P A -1.2044
192 S A -1.1336
193 D A -1.5116
194 Q A -1.7016
195 L A 0.0000
196 S A -0.7802
197 A A 0.0000
198 A A -0.3807
199 F A 0.0000
200 S A -0.2550
201 A A -0.5507
202 L A 0.0000
203 P A -1.0359
204 K A -1.8525
205 N A -1.2910
206 I A 0.0000
207 E A 0.0000
208 R A -0.2000
209 A A 0.0000
210 Y A 0.0000
211 L A 0.0000
212 D A 0.0000
213 V A 0.0000
214 F A 0.0000
215 T A 0.0000
216 Q A 0.0000
217 S A 0.0000
218 Q A -0.4403
219 S A -0.4421
220 A A -0.3768
221 D A 0.0000
222 E A -0.3371
223 F A 0.2292
224 W A 0.0000
225 F A 0.0000
226 F A 0.0000
227 D A 0.0000
228 L A 0.0000
229 P A -1.4383
230 D A -2.7209
231 D A -2.5775
232 I A -1.5572
233 A A 0.0000
234 P A -1.2764
235 L A -0.6231
236 F A 0.0000
237 Q A -1.3113
238 D A -1.1522
239 T A -0.9369
240 G A -1.5741
241 S A -0.8995
242 T A -0.2613
243 A A 0.0000
244 F A 0.0000
245 K A 0.0000
246 E A 0.0000
247 A A 0.0000
248 L A 0.0305
249 V A 0.0000
250 T A -0.7438
251 I A 0.0000
252 D A -1.8598
253 G A -1.4718
254 Q A -1.3284
255 P A -0.7101
256 A A 0.0000
257 G A 0.0000
258 I A 0.0000
259 S A 0.0000
260 P A 0.0000
261 I A 0.0000
262 Y A 0.0000
263 P A 0.0000
264 W A 0.0000
265 I A 0.0000
266 Y A 0.0000
267 T A 0.0000
268 G A 0.1213
269 G A 0.0000
270 A A 0.0818
271 D A 0.0000
272 P A 0.1010
273 I A -0.0627
274 L A 0.0000
275 W A 0.0000
276 R A -0.4506
277 P A 0.0000
278 I A 0.0000
279 P A 0.0000
280 G A 0.0000
281 V A 0.0000
282 Q A -0.3518
283 T A 0.0000
284 L A 0.0000
285 S A -0.2967
286 F A 0.0000
287 E A -0.5643
288 P A -0.2929
289 Y A -0.1862
290 R A -0.4926
291 L A 0.0000
292 D A -0.2958
293 L A 0.0000
294 T A 0.0000
295 P A 0.0000
296 F A 0.0000
297 V A 0.0000
298 G A 0.0000
299 V A -0.5811
300 L A 0.0000
301 G A 0.0000
302 D A -2.3271
303 G A -1.6699
304 S A -0.9677
305 A A -0.5849
306 H A 0.0000
307 T A -0.7630
308 V A 0.0000
309 A A 0.0000
310 I A 0.0000
311 S A -0.7886
312 V A 0.0000
313 Y A -0.1221
314 N A -0.4989
315 A A 0.0000
316 A A -0.7642
317 N A -1.1097
318 Y A -0.5044
319 F A 0.0000
320 A A 0.0000
321 T A 0.0000
322 A A 0.0000
323 A A 0.0000
324 N A 0.0000
325 L A 0.0000
326 L A 0.0000
327 L A 0.0000
328 Y A 0.0000
329 L A -0.5347
330 D A 0.0000
331 A A -0.2752
332 G A -0.6682
333 A A -0.7709
334 S A -0.6303
335 T A -1.2678
336 V A 0.0000
337 S A -1.3255
338 G A -0.8577
339 S A -0.4306
340 V A 0.0622
341 T A -0.1664
342 T A -0.2856
343 N A -0.5680
344 T A -0.4272
345 L A 0.0000
346 S A -0.1803
347 A A -0.1796
348 T A 0.3845
349 P A 0.0000
350 V A 1.2837
351 V A 0.4577
352 N A -0.1767
353 V A 0.6512
354 V A 0.8775
355 E A -0.9344
356 N A -1.6324
357 V A -0.7539
358 T A -0.5451
359 S A -0.5815
360 A A -0.9755
361 P A -1.3082
362 D A -2.3544
363 G A -1.5975
364 S A -1.0828
365 A A 0.0000
366 S A -0.4826
367 G A -1.0180
368 S A -0.7801
369 V A 0.0000
370 S A 0.4787
371 V A 0.0000
372 T A -0.0202
373 S A 0.0000
374 N A -1.4182
375 R A -0.9386
376 S A -1.3098
377 Y A 0.0000
378 T A -0.6422
379 I A 0.0000
380 T A 0.0000
381 G A 0.0000
382 T A -0.4531
383 A A 0.0000
384 N A -1.6784
385 T A -1.2098
386 S A -1.2246
387 H A -2.3887
388 G A -2.0267
389 A A -1.2264
390 V A 0.0000
391 T A -0.4271
392 T A 0.0000
393 Q A -0.5517
394 I A 0.0000
395 D A -0.9549
396 S A 0.0000
397 K A -1.8753
398 I A 0.0000
399 A A -1.2880
400 F A 0.0000
401 S A -0.2881
402 S A 0.0000
403 V A 1.3382
404 Q A 0.0000
405 Q A -0.8552
406 L A 0.0000
407 A A -0.1711
408 T A -0.1957
409 S A -0.8412
410 N A -1.3790
411 T A -0.0961
412 V A 0.5365
413 Y A 0.4379
414 Q A -0.1480
415 Q A 0.0000
416 D A -0.2242
417 T A 0.0000
418 V A 1.5973
419 Q A 0.0000
420 R A -0.6701
421 T A 0.0000
422 D A -1.1100
423 I A 0.0000
424 D A -1.0719
425 T A -0.5769
426 L A -0.1081
427 T A 0.0000
428 T A -0.2125
429 R A 0.0000
430 T A -0.6100
431 Q A -1.5263
432 G A -2.0833
433 N A -2.8964
434 G A -2.6578
435 K A -3.1711
436 G A -2.8107
437 K A -3.2672
438 G A -2.7241
439 G A -1.3191
440 T A -0.5992
441 Q A -0.3876
442 T A 0.2279
443 L A 0.3328
444 H A -0.1479
445 E A -0.5262
446 V A -0.5211
447 R A 0.0000
448 S A 0.0000
449 Y A 0.0000
450 P A -0.4531
451 L A 0.0000
452 T A 0.5224
453 F A 0.0000
454 D A -0.3289
455 Y A -0.0514
456 D A 0.1571
457 Y A 0.8456
458 I A 0.9296
459 T A 0.0352
460 A A -0.4394
461 A A -0.7864
462 D A -1.9835
463 G A -1.2583
464 S A -0.7414
465 A A -0.1988
466 T A 0.1309
467 L A 0.0000
468 H A -0.2502
469 S A 0.0000
470 F A 0.1510
471 A A 0.0000
472 D A -0.0071
473 Q A 0.0000
474 E A -0.7013
475 F A 0.0000
476 Q A -0.9325
477 Q A 0.0000
478 R A -1.4120
479 V A 0.0000
480 D A 0.0000
481 A A 0.0000
482 G A 0.3819
483 V A 0.0108
484 S A -0.5633
485 G A -0.8931
486 N A -1.0044
487 A A 0.2438
488 I A 1.4871
489 K A 0.5363
490 T A -0.0627
491 A A 0.0000
492 T A -0.7454
493 R A 0.0000
494 D A -0.9897
495 N A 0.0000
496 H A -0.6243
497 V A 0.0000
498 V A 0.2891
499 T A 0.0000
500 T A -0.0337
501 V A 0.0000
502 T A -0.3343
503 R A 0.0899
504 N A 0.2198
505 Y A 0.3227
506 D A -0.6188
507 A A -0.9739
508 S A -0.5373
509 G A -0.3369
510 A A 0.4972
511 L A 1.5508
512 V A 1.9180
513 T A 0.8042
514 T A 0.1297
515 P A -0.6942
516 A A -0.6540
517 T A -0.7618
518 A A 0.0000
519 S A -0.7248
520 Q A 0.0000
521 T A -0.9083
522 Y A 0.0000
523 T A -0.5336
524 Y A 0.0000
525 A A -0.3282
526 D A -0.5771
527 P A -0.1598
528 F A -0.1369
529 G A -0.5796
530 A A -0.5260
531 C A -0.4433
532 Y A 0.0000
533 S A -1.0340
534 R A 0.0000
535 K A -1.6004
536 V A 0.0000
537 E A -1.2023
538 A A 0.0000
539 Q A -1.7822
540 D A -1.1707
541 R A -1.0465
542 L A -0.4409
543 L A 0.0000
544 T A -0.1416
545 A A 0.0076
546 V A -0.0216
547 T A -0.9268
548 D A -1.7219
549 G A 0.0000
550 A A -1.1082
551 G A -0.9499
552 C A 0.0000
553 P A -1.0380
554 G A -1.1573
555 G A -1.4713
556 H A -1.4764
557 N A 0.0000
558 Q A -0.4302
559 L A 0.0000
560 S A -0.5019
561 W A -0.5140
562 H A -1.0235
563 D A -1.0213
564 Q A -1.1539
565 F A 0.0000
566 A A -0.8711
567 K A -1.3857
568 F A -0.4846
569 V A 0.0000
570 S A 0.0000
571 N A -1.4948
572 A A -0.5086
573 W A 0.0000
574 G A -0.6907
575 A A 0.0000
576 T A 0.0000
577 V A 0.0000
578 K A -0.7445
579 L A 0.0000
580 L A 0.0000
581 P A -0.4721
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Laboratory of Theory of Biopolymers 2018