Project name: 14f82efb325dc

Status: done

Started: 2025-10-08 09:47:58
Settings
Chain sequence(s) A: AVTVVPDPTCCGTLSFKVPKDAKKGKHLGTFDIRQAIMDYGGLHSQEWCAKGIVNPTFTVRMHAPRNAFAGLSIACTFDDYKRIDLPALGNECPPSEMFELPTKVFMLKDADVHEWQFNYGELTGHGLCNWANVATQPTLYFFVASTNQVTMAADWQCIVTMHVDMGPVIDRFELNPTMTWPIQLGDTFAIDRYYEAKEIKLDGSTSMLSISYNFGGPVKHSKKHAISYSRAVMSRNLGWSGTISGSVKSVSSLFCTASFVIFPWECEAPPTLRQVLWGPHQIMHGDGQFEIAIKTRLHSAATTEEGFGRLGILPLSGPIAPDAHVGSYEFIVHINTWRPDSQVHPPMFSSSELYNWFTLTNLKPDANTGVVNFDIPGYIHDFASKDATVTLASNPLSWLVAATGWHYGEVDLCISWSRSKQAQAQEGSVSITTNYRDWGAYWQGQARIYDLRRTEAEIPIFLGSYAGATPSGALGKQNYVRISIVNAKDIVALRVCLRPKSIKFWGRSATLF
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                                          (00:05:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:45)
Show buried residues

Minimal score value
-3.3433
Maximal score value
2.8837
Average score
-0.3282
Total score value
-168.3447

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 A A 1.2928
2 V A 2.6642
3 T A 2.1739
4 V A 2.8837
5 V A 2.4423
6 P A 0.0869
7 D A -1.3530
8 P A -0.6949
9 T A -0.9179
10 C A -0.6231
11 C A 0.0000
12 G A 0.0000
13 T A 0.0717
14 L A 0.3875
15 S A -0.3481
16 F A 0.0000
17 K A -2.3819
18 V A 0.0000
19 P A -2.2691
20 K A -2.2231
21 D A -2.6073
22 A A 0.0000
23 K A -2.9808
24 K A -1.8388
25 G A 0.0000
26 K A -1.6927
27 H A -0.9637
28 L A 0.0000
29 G A -0.4784
30 T A -0.1365
31 F A 0.0000
32 D A -0.7129
33 I A 0.0000
34 R A 0.0000
35 Q A -1.5060
36 A A -0.8981
37 I A 0.0000
38 M A -0.6254
39 D A -1.6498
40 Y A -0.1963
41 G A -0.2282
42 G A -0.2971
43 L A 0.8318
44 H A -0.0755
45 S A -0.4148
46 Q A -0.9556
47 E A -0.6512
48 W A 0.0000
49 C A -0.0052
50 A A -0.1397
51 K A 0.0880
52 G A 0.2957
53 I A 0.7058
54 V A 0.0000
55 N A -0.2731
56 P A 0.0000
57 T A -1.2800
58 F A 0.0000
59 T A -1.1647
60 V A 0.0000
61 R A -0.8393
62 M A 0.0000
63 H A -0.7447
64 A A 0.0000
65 P A -1.6209
66 R A -2.4567
67 N A -1.3513
68 A A 0.2832
69 F A 1.9190
70 A A 0.0000
71 G A 0.0000
72 L A 0.0000
73 S A 0.0000
74 I A 0.0000
75 A A 0.0000
76 C A 0.0000
77 T A 0.0000
78 F A 0.0000
79 D A 0.0000
80 D A 0.0000
81 Y A 0.0286
82 K A -0.3766
83 R A 0.0000
84 I A 2.2559
85 D A 1.6126
86 L A 2.3901
87 P A 1.2990
88 A A 0.7394
89 L A 1.7845
90 G A 0.4358
91 N A -0.8033
92 E A 0.0000
93 C A -0.6396
94 P A -0.6702
95 P A 0.0000
96 S A 0.0000
97 E A 0.0000
98 M A 0.0000
99 F A 0.0000
100 E A 0.0000
101 L A 0.0000
102 P A -0.3194
103 T A 0.0000
104 K A -0.0847
105 V A 0.0000
106 F A 0.0000
107 M A -0.5138
108 L A -0.9904
109 K A -1.8572
110 D A 0.0000
111 A A -1.3052
112 D A -0.9351
113 V A 0.3375
114 H A 0.0000
115 E A -1.0379
116 W A -0.8098
117 Q A -1.4754
118 F A 0.0000
119 N A -1.3257
120 Y A 0.0000
121 G A 0.0000
122 E A -2.0342
123 L A -0.8311
124 T A 0.0000
125 G A 0.0000
126 H A 0.0000
127 G A 0.0000
128 L A 0.0000
129 C A 0.9050
130 N A 0.0000
131 W A 1.3499
132 A A 0.6242
133 N A 0.4180
134 V A 1.4545
135 A A 0.5827
136 T A 0.0000
137 Q A -0.5371
138 P A 0.0000
139 T A -0.4215
140 L A 0.0000
141 Y A 0.0000
142 F A 0.0000
143 F A 0.0000
144 V A 0.0000
145 A A -0.8562
146 S A 0.0000
147 T A -0.9472
148 N A -0.3613
149 Q A -0.0765
150 V A 1.0820
151 T A -0.6179
152 M A -0.1621
153 A A -0.2277
154 A A -1.0159
155 D A -1.9203
156 W A -1.3980
157 Q A -1.8477
158 C A 0.0000
159 I A 0.1140
160 V A 0.0000
161 T A -0.1855
162 M A 0.0000
163 H A 0.0000
164 V A 0.0000
165 D A -1.9597
166 M A 0.0000
167 G A -0.5295
168 P A 0.0871
169 V A 1.0509
170 I A 0.0666
171 D A -1.4642
172 R A -1.1693
173 F A 0.5649
174 E A -0.1167
175 L A -0.9301
176 N A -1.5806
177 P A -1.0436
178 T A -0.7716
179 M A -0.5733
180 T A -0.5520
181 W A 0.0000
182 P A -0.6905
183 I A -0.3067
184 Q A -0.8776
185 L A -0.6779
186 G A -1.5679
187 D A -2.6358
188 T A -1.8000
189 F A 0.0000
190 A A -0.6339
191 I A 0.0000
192 D A -0.9221
193 R A 0.0000
194 Y A 0.0000
195 Y A -0.2932
196 E A -0.9011
197 A A -0.8114
198 K A -0.8028
199 E A -1.3395
200 I A 0.0000
201 K A -0.8343
202 L A 0.0965
203 D A -1.7245
204 G A -1.2678
205 S A -0.8974
206 T A -0.4162
207 S A -0.1889
208 M A 0.0000
209 L A 0.5410
210 S A 0.0000
211 I A 0.2766
212 S A 0.0000
213 Y A 0.0000
214 N A -1.0503
215 F A 0.0000
216 G A 0.0000
217 G A -0.3603
218 P A -0.1090
219 V A -0.4236
220 K A -1.8628
221 H A -1.4506
222 S A -1.6810
223 K A -1.9305
224 K A -1.1499
225 H A -0.7480
226 A A 0.0000
227 I A 0.0000
228 S A 0.0000
229 Y A 0.0000
230 S A 0.0000
231 R A 0.0000
232 A A 0.0000
233 V A 0.0000
234 M A 0.0000
235 S A 0.0000
236 R A 0.0808
237 N A 0.3019
238 L A 0.6393
239 G A 0.2604
240 W A 0.0000
241 S A 0.0000
242 G A -1.6195
243 T A -1.4735
244 I A 0.0000
245 S A -1.6311
246 G A 0.0000
247 S A 0.0000
248 V A 0.0000
249 K A -1.0116
250 S A -0.5171
251 V A 0.0000
252 S A 0.0000
253 S A 0.0000
254 L A 2.5548
255 F A 2.7086
256 C A 0.0000
257 T A 1.0152
258 A A 0.2321
259 S A 0.0000
260 F A 0.0000
261 V A 0.0000
262 I A 0.0000
263 F A 0.0000
264 P A -0.4774
265 W A -0.3011
266 E A -0.6812
267 C A -0.4613
268 E A -1.6011
269 A A -0.7970
270 P A 0.0000
271 P A -0.7703
272 T A -0.5480
273 L A 0.0009
274 R A -1.3789
275 Q A -1.0747
276 V A 0.0000
277 L A 0.2514
278 W A 0.5515
279 G A -0.0493
280 P A -0.4591
281 H A -0.6224
282 Q A -0.9863
283 I A 0.1729
284 M A 0.0000
285 H A -1.2021
286 G A 0.0000
287 D A -1.7400
288 G A -1.4737
289 Q A -1.9266
290 F A 0.0000
291 E A -2.4605
292 I A 0.0000
293 A A -1.1606
294 I A 0.0000
295 K A -1.4500
296 T A -1.1143
297 R A -1.4240
298 L A 0.0912
299 H A -1.1912
300 S A -0.5269
301 A A 0.0000
302 A A -0.6664
303 T A 0.0000
304 T A -1.1129
305 E A -2.4977
306 E A -2.5772
307 G A -1.2270
308 F A -0.4827
309 G A 0.0000
310 R A -0.1366
311 L A 0.0000
312 G A 0.0000
313 I A 0.0000
314 L A 0.4445
315 P A 0.0444
316 L A 0.4543
317 S A 0.3192
318 G A 0.2007
319 P A 0.0000
320 I A 1.9974
321 A A 1.4913
322 P A -0.0728
323 D A -1.1431
324 A A -0.3345
325 H A 0.9268
326 V A 1.4565
327 G A 0.8019
328 S A -0.1951
329 Y A 0.0000
330 E A 0.0000
331 F A 0.0000
332 I A 0.0000
333 V A 0.0000
334 H A -0.6434
335 I A 0.0000
336 N A -1.1170
337 T A -1.3527
338 W A 0.0000
339 R A -2.9680
340 P A -2.1880
341 D A -2.0074
342 S A -1.1002
343 Q A -0.8435
344 V A 0.7882
345 H A 0.3950
346 P A 0.4433
347 P A 0.4619
348 M A 0.9985
349 F A 1.8655
350 S A 0.5255
351 S A -0.0360
352 S A -0.2685
353 E A -0.6527
354 L A -0.2925
355 Y A 0.0000
356 N A -1.3809
357 W A 0.0000
358 F A 0.0000
359 T A -0.4730
360 L A 0.0000
361 T A -0.5309
362 N A -1.6886
363 L A 0.0000
364 K A -3.3433
365 P A -2.0417
366 D A -2.2381
367 A A -1.5338
368 N A -1.6434
369 T A -0.6044
370 G A -0.8102
371 V A -0.2771
372 V A 0.0000
373 N A -1.0940
374 F A 0.0000
375 D A -1.2006
376 I A 0.0000
377 P A -0.2649
378 G A 0.0000
379 Y A 0.3131
380 I A 0.0000
381 H A -0.9574
382 D A -1.6346
383 F A 0.0000
384 A A -0.7655
385 S A -1.4070
386 K A -2.4713
387 D A -3.0352
388 A A -1.9477
389 T A -1.0071
390 V A -0.4921
391 T A 0.0698
392 L A 0.0981
393 A A -0.3153
394 S A -0.2976
395 N A 0.0000
396 P A 0.0000
397 L A 0.0000
398 S A -0.4246
399 W A 0.0143
400 L A 0.0000
401 V A 0.0000
402 A A -0.2377
403 A A 0.0000
404 T A 0.0000
405 G A -0.0751
406 W A 0.2128
407 H A 0.0000
408 Y A 0.7094
409 G A 0.0000
410 E A -1.3756
411 V A 0.0000
412 D A 0.0000
413 L A 0.0000
414 C A -0.9673
415 I A 0.0000
416 S A -1.5358
417 W A 0.0000
418 S A 0.0017
419 R A 0.0000
420 S A -0.9928
421 K A -2.5104
422 Q A -2.3687
423 A A -1.8267
424 Q A -2.1601
425 A A -1.9900
426 Q A -2.2074
427 E A -1.7243
428 G A 0.0863
429 S A 0.9348
430 V A 0.0000
431 S A 0.2009
432 I A 0.0000
433 T A 0.0000
434 T A -0.0383
435 N A 0.0000
436 Y A 0.0971
437 R A -1.7014
438 D A -1.8728
439 W A 0.0782
440 G A -0.1183
441 A A 0.4413
442 Y A 1.2206
443 W A 1.0459
444 Q A -0.7253
445 G A -1.1748
446 Q A -1.3242
447 A A -0.0807
448 R A 0.0000
449 I A 1.6546
450 Y A 0.3180
451 D A -1.2906
452 L A -0.9405
453 R A -2.6308
454 R A -2.0433
455 T A -0.9000
456 E A 0.0000
457 A A -0.3473
458 E A 0.0000
459 I A 0.3794
460 P A 0.0000
461 I A 0.0000
462 F A 2.1304
463 L A 1.8774
464 G A 0.0000
465 S A 0.0000
466 Y A 0.1289
467 A A -0.2721
468 G A -0.4390
469 A A 0.0000
470 T A 0.3058
471 P A -0.0979
472 S A -0.8163
473 G A -0.0044
474 A A 0.0167
475 L A 0.3991
476 G A 0.0000
477 K A -0.5922
478 Q A 0.0000
479 N A 0.0000
480 Y A 0.0000
481 V A 0.3422
482 R A 0.0000
483 I A 1.4870
484 S A 0.0000
485 I A 0.3923
486 V A 0.0000
487 N A -1.3614
488 A A -0.5286
489 K A -0.6988
490 D A 0.0000
491 I A 1.4630
492 V A 0.7007
493 A A 0.0000
494 L A 0.0000
495 R A -1.5872
496 V A 0.0000
497 C A -0.8126
498 L A 0.0000
499 R A -1.7319
500 P A 0.0000
501 K A -2.1912
502 S A -1.5643
503 I A 0.0000
504 K A -1.0598
505 F A 0.0000
506 W A 0.0000
507 G A 0.0000
508 R A -0.4509
509 S A 0.0000
510 A A 0.0000
511 T A 0.2802
512 L A 0.6797
513 F A 1.3981
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Laboratory of Theory of Biopolymers 2018