Project name: 689d1bd94f05239

Status: done

Started: 2026-06-03 21:17:11
Settings
Chain sequence(s) A: MGSVAAEEVVVFRSKLPDIEIDNSMTLQEYCFARMAEVGARPCLIDGQTGESYTYAEVESASRRAAAGLRRMGVGKGDVVMSLLRNCPEFAFSFLGAARLGAATTTANPFYTPHEVHRQAEAAGARVIVTEACAVEKVREFAAERGVPVVTVDGAFDGCVEFREVLAAEELDADADVHPDDVVALPYSSGTTGLPKGVMLTHRSLITSVAQQVDGENPNLYFSKDDVILCLLPLFHIYSLNSVLLAGLRAGSTIVIMRKFDLGALVDLVRKHNITIAPFVPPIVVEIAKSPRVTAEDLASIRMVMSGAAPMGKDLQDAFMAKIPNAVLGQGYGMTEAGPVLAMCLAFAKEPFKVKSGSCGTVVRNAELKIVDPDTGTSLGRNQSGEICIRGEQIMKGYLNDPEATKNTIDEDGWLHTGDIGFVDDDDEIFIVDRLKEIIKYKGFQVPPAELEALLITHPEIKDAAVVSMKDDLAGEVPVAFIVRTEGSEITEDEIKKFVAKEVVFYKRINKVFFTDSIPKNPSGKILRKDLRARLAAGIPDAVAAAAADAPKSS
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:10)
Show buried residues

Minimal score value
-4.0125
Maximal score value
1.8571
Average score
-0.7909
Total score value
-438.1582

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 1.0149
2 G A 0.4608
3 S A 0.7247
4 V A 1.4435
5 A A 0.0260
6 A A -0.5567
7 E A -1.8662
8 E A -1.6104
9 V A 0.7816
10 V A 0.7687
11 V A 0.7843
12 F A 0.0000
13 R A -1.2324
14 S A -1.1679
15 K A -1.2107
16 L A 0.0000
17 P A -1.4667
18 D A -2.1952
19 I A -2.0067
20 E A -2.4811
21 I A -1.8309
22 D A -2.2341
23 N A -1.7300
24 S A -1.1113
25 M A -0.8351
26 T A -1.1156
27 L A 0.0000
28 Q A 0.0000
29 E A -1.2732
30 Y A 0.0000
31 C A 0.0000
32 F A 0.0000
33 A A -0.6838
34 R A -1.1531
35 M A -0.8508
36 A A -0.6959
37 E A -1.8201
38 V A 0.0000
39 G A -1.0871
40 A A -0.9962
41 R A -2.0739
42 P A -0.9622
43 C A 0.0000
44 L A 0.0000
45 I A 0.0000
46 D A 0.0000
47 G A -1.8226
48 Q A -1.9381
49 T A -1.4388
50 G A -1.6553
51 E A -2.2417
52 S A -1.3715
53 Y A -0.8641
54 T A -0.9150
55 Y A 0.0000
56 A A -0.8255
57 E A -1.4518
58 V A 0.0000
59 E A -1.1504
60 S A -1.4186
61 A A 0.0000
62 S A 0.0000
63 R A -1.9696
64 R A -2.4498
65 A A 0.0000
66 A A 0.0000
67 A A -2.3831
68 G A 0.0000
69 L A 0.0000
70 R A -3.0023
71 R A -2.7348
72 M A -1.5864
73 G A -1.7640
74 V A 0.0000
75 G A -2.1347
76 K A -2.5716
77 G A -1.5305
78 D A -1.7661
79 V A 0.0000
80 V A 0.0000
81 M A 0.0000
82 S A 0.0000
83 L A 0.0000
84 L A 0.0000
85 R A -0.6482
86 N A 0.0000
87 C A 0.0000
88 P A 0.0000
89 E A -0.6417
90 F A 0.0000
91 A A 0.0000
92 F A 0.0000
93 S A 0.0000
94 F A 0.0000
95 L A 0.0000
96 G A 0.0000
97 A A 0.0000
98 A A 0.0000
99 R A 0.0000
100 L A 0.0000
101 G A 0.0000
102 A A 0.0000
103 A A 0.0000
104 T A 0.0000
105 T A 0.0000
106 T A 0.0000
107 A A 0.0000
108 N A 0.0000
109 P A 0.0000
110 F A 1.8571
111 Y A 0.7009
112 T A -0.2729
113 P A -1.6166
114 H A -1.9033
115 E A -1.7898
116 V A 0.0000
117 H A -2.1542
118 R A -2.1532
119 Q A 0.0000
120 A A 0.0000
121 E A -2.6346
122 A A -1.3983
123 A A 0.0000
124 G A -1.6335
125 A A 0.0000
126 R A -2.1983
127 V A 0.0000
128 I A 0.0000
129 V A 0.0000
130 T A 0.0000
131 E A 0.0000
132 A A -0.4906
133 C A 0.1197
134 A A 0.0000
135 V A 0.0000
136 E A -2.5409
137 K A -1.8476
138 V A 0.0000
139 R A -2.9971
140 E A -3.5365
141 F A 0.0000
142 A A 0.0000
143 A A -2.4641
144 E A -3.4163
145 R A -3.5241
146 G A -2.1703
147 V A -1.5111
148 P A -0.6324
149 V A 0.0000
150 V A 0.0000
151 T A 0.0000
152 V A -1.2140
153 D A -1.8834
154 G A -1.0160
155 A A -0.7742
156 F A -0.5984
157 D A -1.7140
158 G A -1.2277
159 C A -0.5069
160 V A -0.4173
161 E A -1.6494
162 F A 0.0000
163 R A -2.9033
164 E A -2.6018
165 V A 0.0000
166 L A -1.7705
167 A A -1.7278
168 A A -2.2527
169 E A -3.0090
170 E A -3.3423
171 L A 0.0000
172 D A -2.6763
173 A A -1.5252
174 D A -1.3264
175 A A -1.6252
176 D A -2.2519
177 V A -1.6459
178 H A -1.6284
179 P A -0.9903
180 D A -1.4316
181 D A -1.2520
182 V A -0.7016
183 V A 0.0000
184 A A 0.0000
185 L A 0.0000
186 P A 0.0000
187 Y A 0.1548
188 S A -0.0594
189 S A -0.0035
190 G A -0.2031
191 T A -0.5812
192 T A -0.3835
193 G A 0.0853
194 L A 1.0915
195 P A 0.1951
196 K A -0.3486
197 G A 0.0000
198 V A 0.0000
199 M A -0.4596
200 L A 0.0000
201 T A 0.0000
202 H A 0.0000
203 R A -1.5048
204 S A 0.0000
205 L A 0.0000
206 I A 0.0000
207 T A 0.0000
208 S A 0.0000
209 V A 0.0000
210 A A 0.0000
211 Q A 0.0000
212 Q A 0.0000
213 V A -0.2564
214 D A -0.7836
215 G A -1.7556
216 E A -2.3337
217 N A 0.0000
218 P A 0.0000
219 N A 0.0000
220 L A 0.0000
221 Y A -0.4197
222 F A 0.0000
223 S A -1.0476
224 K A -2.1909
225 D A -2.3303
226 D A 0.0000
227 V A -0.6802
228 I A 0.0000
229 L A 0.0000
230 C A 0.0000
231 L A 0.0000
232 L A -0.1083
233 P A -0.3993
234 L A 0.0000
235 F A 0.0000
236 H A -0.1032
237 I A 0.0000
238 Y A 0.3574
239 S A 0.0000
240 L A 0.0000
241 N A 0.0000
242 S A 0.1380
243 V A 0.0000
244 L A 0.0000
245 L A 0.0000
246 A A 0.0000
247 G A 0.0000
248 L A 0.0000
249 R A -0.5913
250 A A 0.0000
251 G A 0.0000
252 S A 0.0000
253 T A 0.0000
254 I A 0.0000
255 V A 0.0000
256 I A 0.0000
257 M A 0.0000
258 R A -1.7338
259 K A -2.3448
260 F A -1.3442
261 D A -2.1571
262 L A -1.5376
263 G A -1.2518
264 A A -1.7148
265 L A 0.0000
266 V A 0.0000
267 D A -3.0960
268 L A 0.0000
269 V A 0.0000
270 R A -4.0125
271 K A -3.5342
272 H A -2.3653
273 N A -2.5787
274 I A 0.0000
275 T A -0.7404
276 I A 0.0000
277 A A 0.0000
278 P A 0.0000
279 F A 0.0000
280 V A 0.1877
281 P A 0.0000
282 P A -0.3016
283 I A 0.0000
284 V A 0.0000
285 V A -0.4578
286 E A -1.8527
287 I A 0.0000
288 A A -1.2240
289 K A -2.2661
290 S A -1.8643
291 P A -1.7446
292 R A -2.2311
293 V A 0.0000
294 T A -1.2935
295 A A -1.2817
296 E A -2.3929
297 D A -2.1515
298 L A 0.0000
299 A A -1.6902
300 S A -1.4611
301 I A 0.0000
302 R A -0.7404
303 M A 0.0000
304 V A 0.0000
305 M A 0.3017
306 S A 0.0000
307 G A -0.0156
308 A A -0.0819
309 A A -0.1381
310 P A -0.4148
311 M A 0.0000
312 G A -1.5431
313 K A -2.7357
314 D A -2.2288
315 L A -1.3054
316 Q A -1.4928
317 D A -2.1015
318 A A -1.2511
319 F A 0.0000
320 M A -0.5045
321 A A -0.5146
322 K A -1.0805
323 I A 0.0000
324 P A -1.0779
325 N A -1.5334
326 A A 0.0000
327 V A 0.5827
328 L A 0.4337
329 G A 0.0000
330 Q A 0.0000
331 G A -0.1565
332 Y A 0.0000
333 G A 0.0385
334 M A 0.1409
335 T A 0.1038
336 E A 0.0000
337 A A 0.0000
338 G A 0.0000
339 P A 0.0000
340 V A 0.0000
341 L A 0.0000
342 A A 0.0000
343 M A 0.0000
344 C A 0.0000
345 L A 0.0000
346 A A -0.4679
347 F A 0.0000
348 A A 0.0000
349 K A -2.2894
350 E A -2.5707
351 P A -1.4640
352 F A -0.8338
353 K A -1.4991
354 V A -0.7859
355 K A -1.0014
356 S A -1.0317
357 G A -0.7236
358 S A 0.0000
359 C A 0.0000
360 G A 0.0000
361 T A 0.0000
362 V A 0.0000
363 V A 0.0000
364 R A 0.0000
365 N A -1.6330
366 A A 0.0000
367 E A -0.8024
368 L A 0.0000
369 K A 0.1513
370 I A 0.0000
371 V A 0.0000
372 D A -1.4749
373 P A -1.4502
374 D A -2.2045
375 T A -1.3615
376 G A -1.2176
377 T A -0.8877
378 S A -0.1856
379 L A -0.4196
380 G A -0.7684
381 R A -2.3195
382 N A -2.4168
383 Q A -1.8412
384 S A -0.8452
385 G A 0.0000
386 E A -0.5433
387 I A 0.0000
388 C A 0.0000
389 I A 0.0000
390 R A -1.3562
391 G A -1.2928
392 E A -2.1513
393 Q A 0.0000
394 I A -0.8142
395 M A 0.0000
396 K A -1.8775
397 G A 0.0000
398 Y A 0.0000
399 L A -0.6763
400 N A -1.5703
401 D A -1.7417
402 P A -2.1434
403 E A -3.0900
404 A A -2.2311
405 T A -2.3261
406 K A -3.4128
407 N A -2.8663
408 T A 0.0000
409 I A -1.8856
410 D A -2.5995
411 E A -3.3027
412 D A -2.8682
413 G A -2.1262
414 W A 0.0000
415 L A 0.0000
416 H A -0.5664
417 T A 0.0000
418 G A -0.6402
419 D A 0.0000
420 I A 0.0000
421 G A 0.0000
422 F A -0.3183
423 V A 0.0000
424 D A 0.0000
425 D A -3.0127
426 D A -2.7474
427 D A -1.8432
428 E A 0.0000
429 I A 0.0000
430 F A 0.5101
431 I A 1.0186
432 V A 0.6354
433 D A 0.0000
434 R A -0.7961
435 L A -0.8699
436 K A -1.7819
437 E A -1.5399
438 I A -0.8155
439 I A 0.0000
440 K A -1.8239
441 Y A -1.2379
442 K A -1.7227
443 G A -1.2191
444 F A -0.0850
445 Q A -1.0708
446 V A 0.0000
447 P A -0.4829
448 P A 0.0000
449 A A -0.3763
450 E A -0.9379
451 L A 0.0000
452 E A 0.0000
453 A A -0.4621
454 L A -0.1268
455 L A 0.0000
456 I A -0.0505
457 T A -0.5388
458 H A -0.5329
459 P A -0.8880
460 E A -1.9258
461 I A 0.0000
462 K A -2.5545
463 D A -1.3326
464 A A 0.0000
465 A A 0.0000
466 V A 0.0000
467 V A 0.0000
468 S A 0.0000
469 M A -1.3337
470 K A -2.5302
471 D A -2.1277
472 D A -1.8794
473 L A -0.1399
474 A A 0.0000
475 G A -2.0758
476 E A -1.9950
477 V A 0.0000
478 P A 0.0000
479 V A 0.0000
480 A A 0.0000
481 F A 0.0000
482 I A 0.0000
483 V A 0.0000
484 R A -2.5433
485 T A -2.6470
486 E A -2.7902
487 G A -1.9682
488 S A -2.0468
489 E A -2.4609
490 I A 0.0000
491 T A -2.1623
492 E A -2.7663
493 D A -3.6210
494 E A -3.2081
495 I A 0.0000
496 K A -3.2514
497 K A -3.7217
498 F A -2.4092
499 V A 0.0000
500 A A -2.0178
501 K A -2.7499
502 E A -2.4898
503 V A -0.7101
504 V A 0.9044
505 F A 1.5558
506 Y A 0.4742
507 K A -0.4152
508 R A -1.7522
509 I A 0.0000
510 N A -1.9056
511 K A -1.7214
512 V A 0.0000
513 F A 0.0263
514 F A -0.2693
515 T A 0.0000
516 D A -2.3778
517 S A -1.4817
518 I A 0.0000
519 P A -1.2228
520 K A -1.3426
521 N A -1.0541
522 P A -0.5769
523 S A -0.5670
524 G A -0.7355
525 K A -0.8071
526 I A -0.8477
527 L A -1.3230
528 R A -1.8169
529 K A -2.7908
530 D A -2.6850
531 L A 0.0000
532 R A -2.2813
533 A A -1.5142
534 R A -1.2927
535 L A -0.7677
536 A A -0.5404
537 A A -0.1645
538 G A -0.3564
539 I A -0.1505
540 P A -0.3276
541 D A -1.2588
542 A A 0.0061
543 V A 1.5005
544 A A 0.7199
545 A A 0.4698
546 A A 0.2179
547 A A -0.0560
548 A A -0.7522
549 D A -1.9891
550 A A -1.3969
551 P A -1.6396
552 K A -2.1987
553 S A -1.2109
554 S A -0.7775
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018