Project name: 007

Status: done

Started: 2026-05-14 06:44:55
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKGGGGSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYCCQQYYIYPYTFGQGTKVEIKGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSGGGGSGGGGSGGGGSGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALPHHHHHH
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:22)
Show buried residues

Minimal score value
-3.2275
Maximal score value
2.1979
Average score
-0.7433
Total score value
-427.3804

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 E A -2.1141
2 V A -1.3259
3 Q A -0.9919
4 L A 0.0000
5 V A 1.3008
6 E A 0.0000
7 S A -0.2555
8 G A -0.8731
9 G A -0.5383
10 G A -0.2235
11 L A 0.0471
12 V A 0.0000
13 Q A -1.6076
14 P A -1.8170
15 G A -1.3757
16 G A -1.0416
17 S A -1.2144
18 L A -1.1098
19 R A -2.0147
20 L A 0.0000
21 S A -0.3032
22 C A 0.0000
23 A A 0.0215
24 A A -0.4094
25 S A -1.0414
26 G A -1.3874
27 F A -1.2123
28 N A -1.7963
29 I A 0.0000
30 K A -2.3791
31 D A -2.8671
32 T A 0.0000
33 Y A -0.3954
34 I A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A 0.0000
40 A A -1.1526
41 P A -0.9194
42 G A -1.5408
43 K A -2.2462
44 G A -1.5317
45 L A 0.0000
46 E A -1.0277
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 R A -0.4760
51 I A 0.0000
52 Y A -0.5205
53 P A 0.0000
54 T A -1.2677
55 N A -1.1711
56 G A -0.4955
57 Y A 0.4301
58 T A -0.3666
59 R A -1.6999
60 Y A -1.7102
61 A A 0.0000
62 D A -3.0717
63 S A -1.9150
64 V A 0.0000
65 K A -2.8742
66 G A -1.7899
67 R A -1.7315
68 F A 0.0000
69 T A -1.0785
70 I A 0.0000
71 S A -0.1255
72 A A -0.8385
73 D A -1.2732
74 T A -1.3966
75 S A -1.4354
76 K A -2.1444
77 N A -1.6117
78 T A 0.0000
79 A A 0.0000
80 Y A -0.5189
81 L A 0.0000
82 Q A -1.2363
83 M A 0.0000
84 N A -1.4370
85 S A -1.1761
86 L A 0.0000
87 R A -2.1894
88 A A -1.7407
89 E A -2.2213
90 D A 0.0000
91 T A -0.7699
92 A A 0.0000
93 V A 0.0000
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 S A 0.0000
98 R A -0.2715
99 W A 0.0000
100 G A -0.5979
101 G A -1.6133
102 D A -2.2394
103 G A -1.0076
104 F A -0.1233
105 Y A 0.5667
106 A A 0.0000
107 M A 0.0000
108 D A -0.1761
109 Y A -0.2923
110 W A 0.0000
111 G A 0.0000
112 Q A -0.5502
113 G A 0.0000
114 T A 0.0000
115 L A 0.0000
116 V A 0.0000
117 T A 0.0000
118 V A 0.0000
119 S A -1.0340
120 S A -1.4197
121 G A -1.2526
122 G A -1.0496
123 G A -1.1897
124 G A -1.1126
125 S A -0.9394
126 G A -1.1506
127 G A -1.1806
128 G A -1.1848
129 G A -1.1757
130 S A -1.0319
131 G A -1.5247
132 G A -1.3965
133 G A -1.6015
134 G A -1.4476
135 S A -1.3413
136 D A -1.9465
137 I A 0.0000
138 Q A -2.1390
139 M A 0.0000
140 T A -1.4166
141 Q A 0.0000
142 S A -0.8072
143 P A -0.5202
144 S A -0.8220
145 S A -0.7084
146 L A -0.4965
147 S A -0.8092
148 A A 0.0000
149 S A -0.9253
150 V A -0.3847
151 G A -1.0251
152 D A -1.8308
153 R A -2.3994
154 V A 0.0000
155 T A -0.6205
156 I A 0.0000
157 T A -0.7741
158 C A 0.0000
159 R A -2.8210
160 A A 0.0000
161 S A -2.1456
162 Q A -2.7897
163 D A -2.8637
164 V A 0.0000
165 N A -1.8495
166 T A -0.6926
167 A A -0.0059
168 V A 0.0000
169 A A 0.0000
170 W A 0.0000
171 Y A 0.0000
172 Q A 0.0000
173 Q A 0.0000
174 K A -1.1439
175 P A -0.3542
176 G A -0.4674
177 K A -1.1080
178 A A -0.8939
179 P A 0.0000
180 K A -1.3501
181 L A 0.0000
182 L A 0.0000
183 I A 0.0000
184 Y A 1.1909
185 S A 0.6868
186 A A 0.0000
187 S A 0.7365
188 F A 2.1979
189 L A 1.4412
190 Y A 0.6242
191 S A 0.0165
192 G A -0.4759
193 V A 0.0000
194 P A -0.3364
195 S A -0.3904
196 R A -0.7473
197 F A 0.0000
198 S A 0.0720
199 G A 0.1240
200 S A -0.5446
201 R A -1.5030
202 S A -1.2871
203 G A -1.8514
204 T A -2.2531
205 D A -1.9787
206 F A 0.0000
207 T A -0.7334
208 L A 0.0000
209 T A -0.6292
210 I A 0.0000
211 S A -1.4413
212 S A -1.3171
213 L A 0.0000
214 Q A -0.9666
215 P A -0.9803
216 E A -1.8738
217 D A 0.0000
218 F A -0.6304
219 A A 0.0000
220 T A 0.0000
221 Y A 0.0000
222 Y A 0.0000
223 C A 0.0000
224 Q A 0.0000
225 Q A 0.0000
226 H A 0.0000
227 Y A 0.8664
228 T A 0.4381
229 T A -0.2054
230 P A -0.6475
231 P A 0.0000
232 T A -0.4997
233 F A -0.4778
234 G A 0.0000
235 Q A -1.7268
236 G A 0.0000
237 T A 0.0000
238 K A -1.0109
239 V A 0.0000
240 E A -0.4858
241 I A -0.5193
242 K A -1.5088
243 G A -1.2172
244 G A -1.0860
245 G A -1.0627
246 G A -0.9492
247 S A -0.9380
248 G A -1.4042
249 G A -1.1893
250 G A -1.2729
251 G A -1.2286
252 S A -1.0655
253 G A -1.2471
254 G A -1.2377
255 G A -1.2526
256 G A -1.2431
257 S A -1.1011
258 G A -1.2514
259 G A -1.2343
260 G A -1.1999
261 G A -1.0705
262 S A -1.0853
263 D A -1.0094
264 I A 0.0000
265 Q A -1.8874
266 M A 0.0000
267 T A -1.2982
268 Q A 0.0000
269 S A -0.5975
270 P A -0.4593
271 S A -0.7677
272 S A -0.9048
273 L A -0.6913
274 S A -1.1571
275 A A 0.0000
276 S A -0.8123
277 V A 0.0904
278 G A -0.9231
279 D A -1.8241
280 R A -2.3509
281 V A 0.0000
282 T A -0.6434
283 I A 0.0000
284 T A -0.7578
285 C A 0.0000
286 K A -2.5366
287 A A 0.0000
288 S A -2.0725
289 Q A -2.7050
290 D A -2.7730
291 V A 0.0000
292 S A 0.0000
293 I A -0.4452
294 G A 0.0000
295 V A 0.0000
296 A A 0.0000
297 W A 0.0000
298 Y A 0.0000
299 Q A 0.0000
300 Q A 0.0000
301 K A -1.6026
302 P A -1.1870
303 G A -1.6313
304 K A -2.5777
305 A A -1.6136
306 P A 0.0000
307 K A -1.3741
308 L A 0.0000
309 L A 0.0000
310 I A 0.0000
311 Y A 0.0000
312 S A 0.0000
313 A A 0.0000
314 S A -0.1733
315 Y A 0.0000
316 R A -0.3769
317 Y A -0.2834
318 T A -0.4008
319 G A -0.5567
320 V A 0.0000
321 P A -0.4525
322 S A -0.5252
323 R A -0.7956
324 F A 0.0000
325 S A -0.3420
326 G A -0.2977
327 S A -0.5776
328 G A -0.9238
329 S A -1.1405
330 G A -1.5651
331 T A -2.1864
332 D A -2.3887
333 F A 0.0000
334 T A -0.7033
335 L A 0.0000
336 T A -0.5829
337 I A 0.0000
338 S A -1.3396
339 S A -1.2690
340 L A 0.0000
341 Q A -0.8846
342 P A -1.0347
343 E A -1.6904
344 D A 0.0000
345 F A -0.5701
346 A A 0.0000
347 T A -0.8925
348 Y A 0.0000
349 C A 0.0000
350 C A 0.0000
351 Q A 0.0000
352 Q A 0.0000
353 Y A 0.0000
354 Y A 0.0000
355 I A -0.0834
356 Y A 0.2167
357 P A 0.0000
358 Y A 0.0000
359 T A 0.0000
360 F A 0.0000
361 G A 0.0000
362 Q A -1.6789
363 G A 0.0000
364 T A 0.0000
365 K A -1.4407
366 V A 0.0000
367 E A -1.5461
368 I A -0.7785
369 K A -1.8216
370 G A -1.6125
371 G A -1.1274
372 G A -1.1884
373 G A -1.0694
374 S A -1.1607
375 G A -1.5488
376 G A -1.3674
377 G A -1.3420
378 G A -1.1307
379 S A -0.9900
380 G A -1.1261
381 G A -1.3275
382 G A -1.4062
383 G A -1.4744
384 S A -1.5124
385 E A -2.1535
386 V A -1.2533
387 Q A -1.1712
388 L A 0.0000
389 V A 1.0233
390 E A 0.0000
391 S A -0.0914
392 G A -0.4571
393 G A 0.2158
394 G A 0.6688
395 L A 1.3325
396 V A 0.0000
397 Q A -1.4921
398 P A -1.7355
399 G A -1.5278
400 G A 0.0000
401 S A -1.2822
402 L A -0.7078
403 R A -1.4143
404 L A 0.0000
405 S A -0.1425
406 C A 0.0000
407 A A -0.2207
408 A A 0.0000
409 S A -1.0441
410 G A -1.2169
411 F A -0.7488
412 T A -0.8669
413 F A 0.0000
414 T A -1.7103
415 D A -1.9600
416 Y A -0.8784
417 T A -0.5253
418 M A 0.0000
419 D A 0.0000
420 W A 0.0000
421 V A 0.0000
422 R A 0.0000
423 Q A -0.5894
424 A A -1.0353
425 P A -0.8544
426 G A -1.4646
427 K A -2.3563
428 G A -1.5940
429 L A 0.0000
430 E A -0.7521
431 W A 0.0000
432 V A 0.0000
433 A A 0.0000
434 D A 0.0000
435 V A 0.0000
436 N A -0.8488
437 P A 0.0000
438 N A -1.8942
439 S A -1.2088
440 G A -1.1436
441 G A 0.0000
442 S A 0.0000
443 I A 0.2656
444 Y A -0.6066
445 N A 0.0000
446 Q A -2.2785
447 R A -2.1288
448 F A 0.0000
449 K A -2.5815
450 G A -1.8265
451 R A -1.3516
452 F A 0.0000
453 T A -0.5913
454 L A 0.0000
455 S A -0.3863
456 V A -1.1328
457 D A -2.1761
458 R A -3.1865
459 S A -2.2636
460 K A -2.8878
461 N A -2.4009
462 T A 0.0000
463 L A 0.0000
464 Y A -0.3052
465 L A 0.0000
466 Q A -0.6491
467 M A 0.0000
468 N A 0.0000
469 S A -1.0745
470 L A 0.0000
471 R A -2.6326
472 A A -1.9710
473 E A -2.3717
474 D A 0.0000
475 T A -0.4703
476 A A 0.0000
477 V A 0.7191
478 Y A 0.0000
479 Y A 0.0000
480 C A 0.0000
481 A A 0.0000
482 R A 0.0000
483 N A 0.0000
484 L A -0.3693
485 G A -0.6643
486 P A 0.0000
487 S A 0.0000
488 F A 0.0000
489 Y A 0.0000
490 F A 0.0000
491 D A -0.1440
492 Y A -0.2294
493 W A -0.3908
494 G A 0.0000
495 Q A -1.1682
496 G A 0.0000
497 T A 0.6008
498 L A 1.5040
499 V A 0.0000
500 T A 0.2511
501 V A 0.0000
502 S A -0.9610
503 S A -1.3545
504 G A -1.3461
505 G A -1.1374
506 G A -1.2246
507 G A -1.1664
508 S A -0.9968
509 G A -1.1847
510 G A -1.1658
511 G A -1.1918
512 G A -1.1520
513 S A -0.9971
514 G A -1.1741
515 G A -1.1689
516 G A -1.1954
517 G A -1.1646
518 S A -1.0343
519 G A -1.1989
520 G A -1.2569
521 G A -1.3879
522 G A -1.1567
523 S A -0.7650
524 L A -0.8260
525 A A 0.0000
526 E A -0.9474
527 A A -0.9139
528 K A 0.0000
529 V A -0.4003
530 L A -0.6603
531 A A 0.0000
532 N A -1.7415
533 R A -2.2901
534 E A -1.9860
535 L A 0.0000
536 D A -3.2275
537 K A -2.5639
538 Y A -0.5281
539 G A -1.4472
540 V A 0.0000
541 S A -0.9710
542 D A -1.7916
543 Y A 0.1976
544 Y A -0.0306
545 K A -1.4451
546 N A -1.3851
547 L A -0.4920
548 I A 0.0000
549 N A -1.4783
550 N A -1.9181
551 A A 0.0000
552 K A -2.2998
553 T A -1.7792
554 V A -1.6759
555 E A -2.5648
556 G A -2.0104
557 V A 0.0000
558 K A -2.8243
559 A A -2.1746
560 L A -1.4023
561 I A -1.7784
562 D A -2.7567
563 E A -2.5591
564 I A 0.0000
565 L A -0.6485
566 A A -0.9509
567 A A -0.6116
568 L A -0.2986
569 P A -0.9497
570 H A -1.9289
571 H A -2.4536
572 H A -2.8100
573 H A -2.7164
574 H A -2.4475
575 H A -1.9203
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018