Project name: 7509477dc721697

Status: done

Started: 2026-05-29 12:06:54
Settings
Chain sequence(s) A: AKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMSVRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNISQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYDFVPESFDRDKTIALIMNSLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGPGAVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHSGDIAYWDEDEHFFIVLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGELPAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKLDARKIREILIKAKK
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                                          (00:07:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:32)
Show buried residues

Minimal score value
-3.4512
Maximal score value
2.1874
Average score
-0.7076
Total score value
-370.0711

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
4 A A -0.8149
5 K A -1.8729
6 N A -1.1865
7 I A -0.9303
8 K A 0.0000
9 K A -2.1623
10 G A -1.0546
11 P A -0.2978
12 A A 0.2839
13 P A 1.2329
14 F A 2.1874
15 Y A 1.2677
16 P A 0.3229
17 L A -0.1736
18 E A -1.6032
19 D A -2.3142
20 G A -1.6813
21 T A 0.0000
22 A A 0.0000
23 G A 0.0000
24 E A -0.8116
25 Q A -1.1650
26 L A 0.0000
27 H A 0.0000
28 K A -1.8061
29 A A 0.0000
30 M A 0.0000
31 K A -1.0497
32 R A -1.3659
33 Y A 0.1370
34 A A 0.0000
35 L A 1.7330
36 V A 2.0019
37 P A 0.7400
38 G A -0.0290
39 T A 0.1287
40 I A -0.1897
41 A A 0.0000
42 F A 0.0000
43 T A 0.0000
44 D A 0.0000
45 A A 0.0000
46 H A 0.1816
47 I A 1.2505
48 E A -0.5002
49 V A 0.6047
50 N A -0.3337
51 I A -0.2339
52 T A -0.3947
53 Y A 0.0000
54 A A -0.4248
55 E A -1.5687
56 Y A 0.0000
57 F A 0.0000
58 E A -1.3928
59 M A 0.0000
60 S A 0.0000
61 V A 0.0000
62 R A -1.2069
63 L A 0.0000
64 A A 0.0000
65 E A -1.1772
66 A A 0.0000
67 M A 0.0000
68 K A -2.2829
69 R A -2.4399
70 Y A -1.1855
71 G A -1.4427
72 L A 0.0000
73 N A -1.6823
74 T A -1.3018
75 N A -1.6368
76 H A -1.2928
77 R A -0.9063
78 I A 0.0000
79 V A 0.0000
80 V A 0.0000
81 C A 0.0000
82 S A 0.0000
83 E A -0.4324
84 N A 0.0000
85 S A -0.1782
86 L A 0.0000
87 Q A -0.3660
88 F A 0.0000
89 F A 0.0000
90 M A 0.0000
91 P A 0.0000
92 V A 0.0000
93 L A 0.0000
94 G A 0.0000
95 A A 0.0000
96 L A 0.0000
97 F A 0.0000
98 I A 0.0000
99 G A 0.0000
100 V A 0.0000
101 A A 0.0000
102 V A 0.0000
103 A A 0.0000
104 P A 0.0000
105 A A 0.0000
106 N A -0.2659
107 D A -0.1372
108 I A 1.2358
109 Y A -0.6199
110 N A -2.1392
111 E A -2.8528
112 R A -3.2903
113 E A -2.0761
114 L A 0.0000
115 L A -2.0006
116 N A -1.1423
117 S A 0.0000
118 M A 0.0000
119 N A -1.2351
120 I A -0.5949
121 S A 0.0000
122 Q A -0.5468
123 P A 0.0000
124 T A 0.0000
125 V A 0.0000
126 V A 0.0000
127 F A 0.0000
128 V A 0.0000
129 S A 0.0000
130 K A -2.0619
131 K A -2.4984
132 G A 0.0000
133 L A 0.0000
134 Q A -1.8672
135 K A -1.8953
136 I A 0.0000
137 L A -1.1033
138 N A -1.8425
139 V A 0.0000
140 Q A -1.9701
141 K A -2.6399
142 K A -2.7042
143 L A 0.0000
144 P A -1.2043
145 I A -0.6603
146 I A 0.0000
147 Q A -1.3081
148 K A -0.8302
149 I A 0.0000
150 I A 0.0000
151 I A 0.0000
152 M A 0.0000
153 D A -1.2588
154 S A -1.5311
155 K A -2.1075
156 T A -1.8276
157 D A -2.3258
158 Y A -1.7121
159 Q A -1.7216
160 G A -1.2935
161 F A -0.8578
162 Q A -1.2309
163 S A 0.0000
164 M A 0.0000
165 Y A -0.5400
166 T A -0.6715
167 F A 0.0000
168 V A 0.0000
169 T A -0.2228
170 S A -0.4202
171 H A -1.0238
172 L A -0.8782
173 P A -0.7412
174 P A -0.5380
175 G A -0.7252
176 F A -0.9271
177 N A -1.7265
178 E A -1.2442
179 Y A -0.6013
180 D A -1.5002
181 F A 0.0000
182 V A 0.8969
183 P A 0.0000
184 E A -0.6282
185 S A -0.5284
186 F A -1.0260
187 D A -1.9935
188 R A -2.1756
189 D A -2.6209
190 K A -2.6556
191 T A -1.5774
192 I A -0.6506
193 A A 0.0000
194 L A 0.0000
195 I A 0.0000
196 M A 0.0000
197 N A -0.6995
198 S A -0.3280
204 L A 1.1684
205 P A 0.0930
206 K A -0.6481
207 G A 0.0000
208 V A 0.0000
209 A A 0.0000
210 L A 0.0000
211 P A 0.0000
212 H A 0.0000
213 R A -1.4472
214 T A 0.0000
215 A A 0.0000
216 C A 0.0000
217 V A 0.0000
218 R A -0.1277
219 F A 0.0000
220 S A 0.0000
221 H A 0.0000
222 A A 0.0000
223 R A 0.0000
224 D A 0.0000
225 P A 0.3340
226 I A 0.4951
227 F A 0.0000
228 G A -0.2069
229 N A -0.1037
230 Q A 0.4224
231 I A 1.0130
232 I A 1.5728
233 P A -0.1006
234 D A -1.5459
235 T A 0.0000
236 A A 0.0000
237 I A 0.0000
238 L A 0.0000
239 S A 0.0000
240 V A 0.0262
241 V A 0.0000
242 P A -0.2298
243 F A 0.0000
244 H A -0.6528
245 H A -0.8828
246 G A -0.3770
247 F A -0.0220
248 G A 0.0000
249 M A 0.0000
250 F A 0.0000
251 T A 0.0000
252 T A 0.0000
253 L A 0.0000
254 G A 0.0000
255 Y A 0.0000
256 L A 0.0000
257 I A 0.0000
258 C A 0.0000
259 G A -0.1991
260 F A 0.0000
261 R A -0.6662
262 V A 0.0000
263 V A 0.0000
264 L A 0.0000
265 M A 0.0000
266 Y A -0.5938
267 R A -1.7884
268 F A -1.1070
269 E A -2.1245
270 E A -1.8362
271 E A -2.0451
272 L A -1.8581
273 F A 0.0000
274 L A 0.0000
275 R A -3.2430
276 S A 0.0000
277 L A 0.0000
278 Q A -2.9742
279 D A -2.9829
280 Y A -1.8728
281 K A -2.8621
282 I A 0.0000
283 Q A -1.4633
284 S A 0.0000
285 A A 0.0000
286 L A 0.0000
287 L A 0.0000
288 V A 0.6192
289 P A 0.2570
290 T A 0.3082
291 L A 0.3913
292 F A 0.0000
293 S A -0.2183
294 F A 0.1661
295 F A 0.0000
296 A A -1.4414
297 K A -1.5821
298 S A 0.0000
299 T A -1.0753
300 L A -1.3115
301 I A 0.0000
302 D A -3.0406
303 K A -3.0125
304 Y A -2.8657
305 D A -3.2837
306 L A -2.5435
307 S A -1.4720
308 N A -1.8352
309 L A 0.0000
310 H A -1.4834
311 E A -0.9059
312 I A 0.0000
313 A A 0.0000
314 S A 0.0000
315 G A -0.0545
316 G A -0.0431
317 A A 0.0208
318 P A -0.1259
319 L A -0.6932
320 S A -1.5750
321 K A -2.8378
322 E A -3.0130
323 V A -1.6896
324 G A 0.0000
325 E A -3.3308
326 A A -2.5860
327 V A 0.0000
328 A A 0.0000
329 K A -2.9362
330 R A -2.6981
331 F A 0.0000
332 H A -2.3786
333 L A -1.5334
334 P A -1.2597
335 G A -1.5775
336 I A -0.8367
337 R A -0.4523
338 Q A 0.0000
339 G A 0.0000
340 Y A 0.0000
341 G A 0.0113
342 L A 0.2254
343 T A -0.1528
344 E A 0.0000
345 T A 0.0000
346 T A 0.0000
347 S A 0.0000
348 A A 0.0000
349 I A 0.0000
350 L A 0.0000
351 I A 0.0000
352 T A -0.4966
353 P A -0.6022
354 E A -1.1406
355 G A -0.9314
359 P A -1.1478
360 G A -1.1192
361 A A -0.4847
362 V A 0.0000
363 G A 0.0000
364 K A -1.3054
365 V A 0.0000
366 V A 0.0000
367 P A 0.0000
368 F A 0.0882
369 F A 0.0000
370 E A 0.0000
371 A A 0.0000
372 K A -0.8449
373 V A 0.0000
374 V A 0.0000
375 D A -1.8241
376 L A -1.1693
377 D A -1.9835
378 T A -1.6052
379 G A -1.6876
380 K A -2.2069
381 T A -1.1435
382 L A -0.9887
383 G A -1.0836
384 V A -1.0977
385 N A -1.6449
386 Q A -1.8616
387 R A -1.7030
388 G A 0.0000
389 E A -0.7742
390 L A 0.0000
391 C A 0.0000
392 V A 0.0000
393 R A -1.0477
394 G A -0.4059
395 P A -0.3395
396 M A 0.0000
397 I A 0.0000
398 M A 0.0000
399 S A -0.5046
400 G A 0.0000
401 Y A -0.9345
402 V A -0.5666
403 N A -1.6571
404 N A -1.8813
405 P A -1.9487
406 E A -2.6287
407 A A -1.5795
408 T A -1.4713
409 N A -2.2790
410 A A -1.2241
411 L A -0.6185
412 I A -1.2025
413 D A -2.2495
414 K A -3.0360
415 D A -2.8921
416 G A -1.9820
417 W A 0.0000
418 L A 0.0000
419 H A -0.5877
420 S A -0.3571
421 G A -0.9261
422 D A -0.5530
423 I A 0.2638
424 A A 0.0000
425 Y A -0.6602
426 W A 0.0000
427 D A -2.2893
428 E A -3.1374
429 D A -3.3309
430 E A -3.0117
431 H A -2.0106
432 F A 0.0000
433 F A 0.1614
434 I A 0.8755
435 V A 1.1047
441 L A 1.0302
442 I A 0.0000
443 K A -1.6510
444 Y A 0.0000
445 K A -2.5686
446 G A -1.3840
447 Y A -0.3665
448 Q A -1.0687
449 V A 0.0000
450 A A -0.4504
451 P A -0.4246
452 A A -0.5782
453 E A -1.5793
454 L A 0.0000
455 E A -0.7729
456 S A -0.7675
457 I A -0.6269
458 L A 0.0000
459 L A 0.0724
460 Q A -0.8283
461 H A -0.4584
462 P A -0.5091
463 N A -0.7559
464 I A 0.0000
465 F A 0.5073
466 D A -0.2392
467 A A 0.0000
468 G A 0.0000
469 V A 0.0000
470 A A 0.0000
471 G A 0.0000
472 L A 0.0000
473 P A -1.5460
474 D A -2.8062
475 D A -3.4512
476 D A -3.3172
477 A A 0.0000
478 G A -2.8474
479 E A -2.3794
480 L A -1.8775
481 P A 0.0000
482 A A 0.0000
483 A A 0.0000
484 V A 0.0000
485 V A 0.0000
486 V A 0.0000
487 L A -0.3979
488 E A -0.8769
489 H A -1.4004
490 G A -1.4871
491 K A -1.4277
492 T A -0.8323
493 M A 0.0000
494 T A -1.2715
495 E A -1.6178
496 K A -2.9716
497 E A -2.8495
498 I A 0.0000
499 V A -2.2096
500 D A -3.0976
501 Y A -1.6648
502 V A 0.0000
503 A A -1.6210
504 S A -1.1990
505 Q A -1.4899
506 V A -0.8640
507 T A -0.5373
508 T A -0.5981
509 A A -0.9433
510 K A -1.4473
511 K A -1.7536
512 L A 0.0000
513 R A -2.2367
514 G A 0.0000
515 G A 0.0000
516 V A 0.0000
517 V A 0.4622
518 F A 0.6998
519 V A -0.5270
520 D A -2.1297
521 E A -2.2565
522 V A -1.4505
523 P A -1.7070
529 K A -1.8332
530 L A -1.2996
531 D A -2.6739
532 A A -2.2697
533 R A -3.2396
534 K A -3.0493
535 I A 0.0000
536 R A -2.4468
537 E A -3.1945
538 I A -1.5282
539 L A 0.0000
540 I A -1.3017
541 K A -2.1221
542 A A -1.0863
543 K A -1.4469
544 K A -2.2012
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Laboratory of Theory of Biopolymers 2018