Project name: b8d9ac02c8d8f2e

Status: done

Started: 2026-03-03 03:46:47
Settings
Chain sequence(s) A: GNCWLRQAKNGRCQVLYKTELSKEECCSTGRLSTSWTEEDVNDNTLFKWMIFNGGAPNCIPCKETCENVDCGPGKVCRMNEQNEPRCVCAPDCSNITWKGPVCGLDGKTYRNECALLKARCKEQPELEVQYQGRCKKTCRDVFCPGSSTCVVDQTNNAYCVTCNRICPEPASSEQYLCGNDGVTYSSACHLRKATCLLGRSIGLAYEGKCIKAKSCEDIQCTGGKKCLWDFKVGRGRCSLCDELCPDSKSDEPVCASDNATYASECAMKEAACSSGVLLEVKHSGSCNSISEDTEEEEEDEDQDYSFPISSILEWGGGGSDKTHTCPPCPAPEAEGAPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLAVLHQDWLNGKEYKCKVSNKALPSSIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVAWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHAHYTQKSLSLSPG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:14)
Show buried residues

Minimal score value
-5.1861
Maximal score value
2.7736
Average score
-1.0933
Total score value
-596.9493

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 G A -2.5628
2 N A 0.0000
3 C A 0.0000
4 W A 0.0000
5 L A 0.3274
6 R A -1.2720
7 Q A -1.6158
8 A A -1.9873
9 K A -2.7192
10 N A -2.4380
11 G A -2.0533
12 R A -1.9271
13 C A 0.0000
14 Q A 0.0630
15 V A 1.2393
16 L A 1.4382
17 Y A 1.3300
18 K A -0.5688
19 T A -1.7783
20 E A -2.7760
21 L A -2.2577
22 S A -2.2433
23 K A -2.6021
24 E A -3.0675
25 E A -2.9372
26 C A 0.0000
27 C A -1.6397
28 S A -1.7644
29 T A -1.4315
30 G A -1.8929
31 R A -1.8876
32 L A -1.7696
33 S A -1.0337
34 T A 0.0000
35 S A 0.0000
36 W A 0.0000
37 T A 0.0000
38 E A -3.0189
39 E A -2.8839
40 D A -3.2371
41 V A -2.3240
42 N A -2.5890
43 D A -2.8587
44 N A -2.2266
45 T A -1.5426
46 L A -0.6634
47 F A 0.6071
48 K A -0.0095
49 W A 0.4718
50 M A 1.6338
51 I A 2.7736
52 F A 2.3132
53 N A 0.3833
54 G A 0.0297
55 G A 0.0000
56 A A 0.0000
57 P A -1.2848
58 N A -1.6587
59 C A -1.2047
60 I A -0.4423
61 P A -0.7197
62 C A 0.0000
63 K A -1.9795
64 E A -2.7281
65 T A -2.4840
66 C A -2.2923
67 E A -3.0054
68 N A -2.6456
69 V A -2.5720
70 D A -2.5626
71 C A -1.4835
72 G A -1.0779
73 P A -1.1956
74 G A -1.0886
75 K A -1.3499
76 V A -0.4700
77 C A -1.5398
78 R A -2.5205
79 M A -2.5742
80 N A -2.9777
81 E A -3.3318
82 Q A -3.1530
83 N A -3.7476
84 E A -3.7761
85 P A 0.0000
86 R A -2.2101
87 C A -0.7066
88 V A -0.1831
89 C A -0.8080
90 A A -0.4183
91 P A -1.1404
92 D A -2.4164
93 C A -1.5014
94 S A -1.2626
95 N A -1.7418
96 I A -1.0566
97 T A -0.6001
98 W A -0.8793
99 K A -2.0893
100 G A -1.9525
101 P A -2.2873
102 V A 0.0000
103 C A 0.0000
104 G A 0.0000
105 L A -0.3909
106 D A -2.1212
107 G A -1.6118
108 K A -2.5375
109 T A -2.2287
110 Y A -1.8526
111 R A -2.8115
112 N A -2.1578
113 E A -1.4201
114 C A -1.2500
115 A A -0.8884
116 L A 0.0000
117 L A -1.1211
118 K A -1.7552
119 A A -1.9031
120 R A -2.7138
121 C A -2.1965
122 K A -3.0690
123 E A -3.6524
124 Q A -3.5920
125 P A -2.6166
126 E A -2.8566
127 L A 0.0000
128 E A -1.4217
129 V A -0.5705
130 Q A 0.0000
131 Y A 0.0000
132 Q A -1.4064
133 G A -1.9302
134 R A -2.9944
135 C A -2.0348
136 K A -2.5669
137 K A -2.9078
138 T A -2.3003
139 C A -1.5203
140 R A -2.6074
141 D A -2.0830
142 V A -0.8057
143 F A 1.0486
144 C A 0.6673
145 P A -0.0462
146 G A -0.4487
147 S A -0.4313
148 S A 0.0817
149 T A 0.8859
150 C A 0.3867
151 V A -0.0619
152 V A -1.7650
153 D A -2.2568
154 Q A -2.5672
155 T A -2.3850
156 N A -3.1251
157 N A -2.2541
158 A A 0.0000
159 Y A -0.0090
160 C A 1.1037
161 V A 0.5294
162 T A -0.2954
163 C A 0.0000
164 N A -1.5953
165 R A -1.4997
166 I A 0.4710
167 C A -0.3221
168 P A -0.5914
169 E A -1.7147
170 P A -1.4037
171 A A -0.9677
172 S A -1.1147
173 S A -1.3485
174 E A -2.5630
175 Q A -1.7666
176 Y A -1.3540
177 L A -1.0152
178 C A 0.0000
179 G A 0.0000
180 N A -0.5482
181 D A -0.4271
182 G A -0.1523
183 V A 0.8918
184 T A -0.0277
185 Y A 0.0000
186 S A -0.7081
187 S A 0.0000
188 A A -0.6303
189 C A -0.9412
190 H A -0.9270
191 L A 0.0000
192 R A -1.2719
193 K A -0.8827
194 A A -0.3938
195 T A -0.3974
196 C A 0.0000
197 L A 1.0069
198 L A 0.7990
199 G A 0.0796
200 R A -1.8043
201 S A -1.6205
202 I A 0.0000
203 G A -0.8611
204 L A -0.2279
205 A A 0.0000
206 Y A 0.0000
207 E A -2.5130
208 G A -2.0763
209 K A -1.7110
210 C A -0.4746
211 I A -0.1424
212 K A -1.6737
213 A A -1.9359
214 K A -2.5873
215 S A -1.8212
216 C A -1.8607
217 E A -2.5968
218 D A -2.2868
219 I A 0.0000
220 Q A -2.1628
221 C A -1.7060
222 T A -1.1968
223 G A -1.0790
224 G A -1.4616
225 K A -1.7266
226 K A -1.8116
227 C A -1.3130
228 L A 0.0000
229 W A -0.3093
230 D A -0.0813
231 F A 1.0787
232 K A -0.6503
233 V A -0.0332
234 G A -0.4588
235 R A -1.3397
236 G A 0.0000
237 R A -1.3178
238 C A -1.0412
239 S A 0.0000
240 L A -1.4655
241 C A -1.8369
242 D A -2.4765
243 E A -1.9083
244 L A 0.0445
245 C A -0.6854
246 P A -1.1513
247 D A -2.2972
248 S A -2.3535
249 K A -2.8599
250 S A -2.2853
251 D A -2.9689
252 E A -2.9073
253 P A -1.5567
254 V A 0.0000
255 C A 0.0000
256 A A 0.0000
257 S A -2.0672
258 D A -2.2428
259 N A -2.1990
260 A A -1.0986
261 T A -0.7655
262 Y A -0.5460
263 A A -0.9362
264 S A 0.0000
265 E A -2.2127
266 C A -1.3615
267 A A -1.2295
268 M A 0.0000
269 K A -2.4863
270 E A -2.5246
271 A A -1.2420
272 A A 0.0000
273 C A 0.0000
274 S A -0.9654
275 S A -0.4890
276 G A -0.2804
277 V A 0.2638
278 L A -0.4711
279 L A -1.6640
280 E A -2.6642
281 V A -2.3243
282 K A -2.8501
283 H A -1.7224
284 S A -1.3180
285 G A -0.9044
286 S A -0.6913
287 C A -0.9939
288 N A -0.8958
289 S A -0.0850
290 I A 0.6559
291 S A -0.9263
292 E A -2.5413
293 D A -3.3037
294 T A -3.4015
295 E A -4.4513
296 E A -4.7103
297 E A -5.0425
298 E A -5.1861
299 E A -5.1415
300 D A -4.9451
301 E A -4.8109
302 D A -4.2788
303 Q A -3.3525
304 D A -2.2981
305 Y A 0.2871
306 S A 0.9193
307 F A 2.2823
308 P A 1.6778
309 I A 2.3676
310 S A 1.4098
311 S A 1.3646
312 I A 2.5558
313 L A 1.7536
314 E A -0.1916
315 W A 0.4257
316 G A -0.5450
317 G A -0.9281
318 G A -0.9522
319 G A -1.4274
320 S A -1.8084
321 D A -2.9795
322 K A -2.9985
323 T A -1.7894
324 H A -1.5669
325 T A -0.5186
326 C A 0.3489
327 P A -0.0118
328 P A 0.1058
329 C A 0.5138
330 P A -0.2964
331 A A -0.4881
332 P A -1.1744
333 E A -2.1077
334 A A -1.3770
335 E A -1.7517
336 G A -1.1895
337 A A -1.1334
338 P A 0.0000
339 S A -0.5943
340 V A 0.0000
341 F A 1.0625
342 L A 0.8370
343 F A 1.0470
344 P A -0.2305
345 P A 0.0000
346 K A -2.1058
347 P A -1.4125
348 K A -1.3187
349 D A 0.0000
350 T A 0.0000
351 L A 0.0000
352 M A 0.5103
353 I A 1.4432
354 S A 0.1033
355 R A -1.1457
356 T A -0.7532
357 P A 0.0000
358 E A -1.3329
359 V A 0.0000
360 T A 0.1466
361 C A 0.0000
362 V A 0.0000
363 V A 0.0000
364 V A 0.0000
365 D A -1.3076
366 V A 0.0000
367 S A -1.4322
368 H A -1.6327
369 E A -2.2725
370 D A -2.0050
371 P A -2.2408
372 E A -2.9099
373 V A -2.0169
374 K A -2.2378
375 F A -1.3819
376 N A -1.1905
377 W A 0.0000
378 Y A -0.7370
379 V A -0.9650
380 D A -2.2208
381 G A -0.9601
382 V A 0.4993
383 E A -0.7786
384 V A -0.5879
385 H A -1.9025
386 N A -2.1698
387 A A -1.8755
388 K A -2.3542
389 T A -1.8049
390 K A -2.1428
391 P A -2.3078
392 R A -3.5296
393 E A -3.7279
394 E A -3.2411
395 Q A -1.4317
396 Y A 0.1724
397 N A -0.3446
398 S A -0.6676
399 T A -1.5036
400 Y A 0.0000
401 R A -2.5000
402 V A 0.0000
403 V A -0.9025
404 S A 0.0000
405 V A 0.0000
406 L A 0.0000
407 A A -0.7126
408 V A 0.0000
409 L A 0.5298
410 H A 0.0000
411 Q A -1.1506
412 D A -1.2625
413 W A 0.0000
414 L A -0.9434
415 N A -2.0905
416 G A -2.1137
417 K A -2.2900
418 E A -2.3743
419 Y A 0.0000
420 K A -1.7470
421 C A 0.0000
422 K A -1.6901
423 V A 0.0000
424 S A -1.5888
425 N A 0.0000
426 K A -2.5202
427 A A -1.4129
428 L A 0.0000
429 P A -0.6701
430 S A -0.7785
431 S A -1.0807
432 I A -1.1640
433 E A -2.2467
434 K A -1.3102
435 T A -1.0817
436 I A -0.2749
437 S A -1.2484
438 K A -1.3069
439 A A -1.1725
440 K A -2.3562
441 G A -2.0277
442 Q A -2.2512
443 P A -1.9844
444 R A -2.6312
445 E A -2.9928
446 P A 0.0000
447 Q A -1.4812
448 V A 0.0000
449 Y A 0.4102
450 T A 0.2137
451 L A 0.4876
452 P A -0.2177
453 P A -0.9877
454 S A -1.7367
455 R A -2.8951
456 D A -3.1362
457 E A -2.7137
458 L A -2.3887
459 T A -2.1926
460 K A -3.2024
461 N A -3.0669
462 Q A -2.9027
463 V A 0.0000
464 S A -0.8194
465 L A 0.0000
466 T A -0.2146
467 C A 0.0000
468 L A 0.4188
469 V A 0.0000
470 K A -0.7398
471 G A -1.4318
472 F A 0.0000
473 Y A -1.1748
474 P A 0.0000
475 S A 0.0545
476 D A -1.0186
477 I A 0.0000
478 A A -0.3957
479 V A -0.0146
480 A A -0.5335
481 W A 0.0000
482 E A -1.6585
483 S A 0.0000
484 N A -1.8345
485 G A -1.7475
486 Q A -2.2976
487 P A -1.8383
488 E A -1.6378
489 N A -2.4246
490 N A -1.9153
491 Y A -1.5605
492 K A -2.1708
493 T A -0.9562
494 T A -0.3027
495 P A 0.1542
496 P A 0.7009
497 V A 1.6765
498 L A 1.3253
499 D A -0.5752
500 S A -1.1265
501 D A -2.0833
502 G A -0.9328
503 S A 0.0000
504 F A 0.3535
505 F A 0.7213
506 L A 0.0000
507 Y A 0.3784
508 S A 0.0000
509 K A -1.6396
510 L A 0.0000
511 T A -1.4741
512 V A 0.0000
513 D A -2.7556
514 K A -2.8479
515 S A -2.2265
516 R A -2.0051
517 W A 0.0000
518 Q A -2.2943
519 Q A -2.0670
520 G A -1.1349
521 N A -0.8248
522 V A 0.2984
523 F A 0.0000
524 S A 0.0000
525 C A 0.0000
526 S A 0.0000
527 V A 0.0000
528 M A -0.1140
529 H A 0.0000
530 E A -0.8038
531 A A -1.3771
532 L A -1.0708
533 H A -1.0495
534 A A -0.2728
535 H A -0.4368
536 Y A 0.1783
537 T A -0.5932
538 Q A -1.2184
539 K A -1.3853
540 S A -0.5290
541 L A 0.0000
542 S A -0.0367
543 L A -0.3266
544 S A -0.4465
545 P A -0.5027
546 G A -0.5809
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Laboratory of Theory of Biopolymers 2018