Project name: yangyangwai

Status: done

Started: 2026-03-25 14:26:24
Settings
Chain sequence(s) A: MSNPAMAEDADLQVPDYEFWFVTGSQHLYGEELPGQLKSVEKDAKDMVDKLNASGKLPYPIVFKMVATTADSITQLMKDVNYNDKVAGIITWMHTFSPAKNWIRGTKLLQKPLLHLATQYLDHIPYDTIDFDYMNLNQSAHGDREYGFINARLQKHNKIVYGYWGDPEVQDEIADWEDVAVAYDESFKIKVARFGDNMRNVAVTEGDKVEAQIQFGWTVDYYALGDLVESVNAVSESDIDAKYKELQDKYEFVQGDNDKDKYEHSVRYQIREYFGIKNFLDKGNYSAFTTNFEDLYGDGRLEQLPGLAAQLLMAEYGYGFGAEGDWKTAALGRLVKIMTHNLKDPQATAFMEDYTLELQKGKEAILGSHMLEVDPGIATSDKPIRVEVHPLDIGGKADPARLVFTGREGKDAAMDITISDFEGTEYRMIGYAVTGNKAPKETPHLPVAKQMWTPKAGLKAGATQWIHDGGGHHTVLTFSASETQIQDLATMFGLPFDDIKKNTTLRKFKNELRWNEALYRLRKGLL
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                                          (00:07:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:47)
Show buried residues

Minimal score value
-4.4434
Maximal score value
1.6249
Average score
-0.7633
Total score value
-401.5026

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 0.6158
2 S A -0.3797
3 N A -1.0793
4 P A -0.4854
5 A A -0.2114
6 M A 0.0491
7 A A -0.8105
8 E A -2.3848
9 D A -2.6676
10 A A -1.8614
11 D A -1.5468
12 L A -0.9256
13 Q A -1.4207
14 V A -0.7097
15 P A -1.5303
16 D A -2.3773
17 Y A 0.0000
18 E A -1.0519
19 F A 0.0000
20 W A 0.0000
21 F A 0.0000
22 V A 0.0000
23 T A 0.0000
24 G A 0.0000
25 S A 0.0000
26 Q A -0.4394
27 H A -1.3255
28 L A -0.8815
29 Y A 0.0000
30 G A -2.0198
31 E A -2.8267
32 E A -2.6655
33 L A -1.5494
34 P A -1.4737
35 G A -1.5733
36 Q A 0.0000
37 L A -1.3579
38 K A -2.4861
39 S A -1.8087
40 V A 0.0000
41 E A -2.3876
42 K A -2.7960
43 D A 0.0000
44 A A 0.0000
45 K A -2.6002
46 D A -2.4276
47 M A 0.0000
48 V A 0.0000
49 D A -3.0143
50 K A -2.8550
51 L A 0.0000
52 N A -1.8983
53 A A -1.5828
54 S A -1.3784
55 G A -1.1446
56 K A -1.3972
57 L A -0.9993
58 P A -0.6798
59 Y A -0.5555
60 P A -0.6738
61 I A 0.0000
62 V A 0.0243
63 F A -0.3458
64 K A -0.4537
65 M A -0.1688
66 V A -0.4221
67 A A 0.0000
68 T A -0.4558
69 T A -1.0762
70 A A -1.6653
71 D A -2.3159
72 S A -1.1786
73 I A 0.0000
74 T A 0.0000
75 Q A -1.7233
76 L A 0.0000
77 M A 0.0000
78 K A -0.8511
79 D A -1.1040
80 V A 0.0000
81 N A -0.6635
82 Y A -0.0883
83 N A -1.3213
84 D A -2.4898
85 K A -2.3022
86 V A 0.0000
87 A A 0.0000
88 G A 0.0000
89 I A 0.0000
90 I A 0.0000
91 T A 0.0000
92 W A 0.0000
93 M A 0.0000
94 H A 0.0000
95 T A 0.0000
96 F A 0.1032
97 S A 0.0000
98 P A -0.7207
99 A A 0.0000
100 K A -2.0063
101 N A -1.6148
102 W A 0.0000
103 I A -1.4400
104 R A -2.4795
105 G A 0.0000
106 T A 0.0000
107 K A -1.9565
108 L A -0.6899
109 L A 0.0000
110 Q A -1.2333
111 K A 0.0000
112 P A 0.0000
113 L A 0.0000
114 L A 0.0000
115 H A 0.0000
116 L A 0.0000
117 A A 0.0000
118 T A 0.0000
119 Q A -0.3622
120 Y A -0.2519
121 L A -0.6057
122 D A -1.9208
123 H A -1.1169
124 I A 0.3011
125 P A 0.0365
126 Y A 0.5203
127 D A -1.1167
128 T A -0.5202
129 I A 0.1918
130 D A -0.8194
131 F A 0.6825
132 D A -0.9636
133 Y A -0.0692
134 M A 0.5366
135 N A 0.0754
136 L A 0.3022
137 N A 0.2654
138 Q A 0.0000
139 S A 0.0000
140 A A -0.6860
141 H A -1.2619
142 G A 0.0000
143 D A 0.0000
144 R A -1.9969
145 E A -1.3208
146 Y A 0.0000
147 G A -0.6634
148 F A -0.3347
149 I A 0.0000
150 N A 0.0000
151 A A -1.1719
152 R A -1.7640
153 L A -1.4199
154 Q A -2.1571
155 K A -2.1330
156 H A -1.5463
157 N A -0.8185
158 K A 0.0292
159 I A 1.2779
160 V A 0.0000
161 Y A 1.3535
162 G A 0.0680
163 Y A -0.3852
164 W A 0.0000
165 G A -1.1000
166 D A -1.6349
167 P A -1.9868
168 E A -2.6791
169 V A 0.0000
170 Q A 0.0000
171 D A -2.9091
172 E A -2.0414
173 I A 0.0000
174 A A -1.4900
175 D A -1.6483
176 W A 0.0000
177 E A 0.0000
178 D A -0.4611
179 V A 0.0000
180 A A 0.0000
181 V A 0.0000
182 A A 0.0000
183 Y A 0.0532
184 D A -0.4915
185 E A 0.0000
186 S A 0.0000
187 F A 0.2086
188 K A -1.4484
189 I A 0.0000
190 K A -1.1357
191 V A 0.0000
192 A A 0.0000
193 R A 0.0000
194 F A 0.0000
195 G A 0.0000
196 D A -0.9228
197 N A 0.0000
198 M A -1.2941
199 R A -2.3627
200 N A -1.9180
201 V A -0.8244
202 A A -0.5924
203 V A -0.1935
204 T A 0.0000
205 E A -2.1419
206 G A -1.9660
207 D A -2.5366
208 K A -1.2055
209 V A 0.6913
210 E A -0.5470
211 A A 0.0000
212 Q A 0.0750
213 I A 1.6249
214 Q A 0.4151
215 F A 0.0000
216 G A 0.1773
217 W A 0.0000
218 T A -0.2630
219 V A 0.0034
220 D A 0.0811
221 Y A 1.1231
222 Y A 0.4983
223 A A 0.0126
224 L A -0.8031
225 G A -1.6270
226 D A -1.5738
227 L A 0.0000
228 V A 0.0000
229 E A -2.7535
230 S A -1.5757
231 V A 0.0000
232 N A -1.8427
233 A A -1.2175
234 V A -1.1918
235 S A -1.6360
236 E A -2.5659
237 S A -2.0053
238 D A -2.1506
239 I A 0.0000
240 D A -2.7783
241 A A -2.2117
242 K A 0.0000
243 Y A 0.0000
244 K A -3.7674
245 E A -4.0341
246 L A 0.0000
247 Q A -3.6380
248 D A -4.1953
249 K A -3.8202
250 Y A 0.0000
251 E A -2.4193
252 F A -1.0676
253 V A -0.3177
254 Q A -1.7706
255 G A -1.7652
256 D A -2.7657
257 N A -3.1399
258 D A -4.2427
259 K A -4.4434
260 D A -4.1064
261 K A -3.5380
262 Y A 0.0000
263 E A -2.9275
264 H A -2.6582
265 S A 0.0000
266 V A 0.0000
267 R A -1.3804
268 Y A -0.8407
269 Q A 0.0000
270 I A 0.0000
271 R A -0.8523
272 E A 0.0000
273 Y A 0.0000
274 F A -0.2496
275 G A 0.0000
276 I A 0.0000
277 K A -0.9982
278 N A -1.5799
279 F A -1.6603
280 L A 0.0000
281 D A -2.9829
282 K A -2.9552
283 G A -2.1362
284 N A -2.6691
285 Y A 0.0000
286 S A -0.8930
287 A A 0.0000
288 F A 0.0000
289 T A 0.0000
290 T A 0.0000
291 N A 0.0000
292 F A -0.0584
293 E A -0.8321
294 D A -0.6081
295 L A 0.0000
296 Y A -0.2475
297 G A -1.0054
298 D A -2.1146
299 G A -2.4399
300 R A -2.7320
301 L A 0.0000
302 E A -2.3235
303 Q A 0.0000
304 L A 0.0000
305 P A 0.0000
306 G A 0.0000
307 L A 0.0000
308 A A 0.0000
309 A A 0.0000
310 Q A 0.0000
311 L A 0.0000
312 L A 0.0000
313 M A 0.0000
314 A A 0.0000
315 E A -0.2665
316 Y A -0.3400
317 G A 0.0000
318 Y A 0.0000
319 G A 0.0000
320 F A 0.0000
321 G A 0.0000
322 A A 0.0000
323 E A 0.0000
324 G A 0.0000
325 D A 0.0000
326 W A 0.0000
327 K A 0.0000
328 T A 0.0000
329 A A 0.0000
330 A A 0.0000
331 L A 0.0000
332 G A 0.0000
333 R A 0.0000
334 L A 0.0000
335 V A 0.0000
336 K A 0.0000
337 I A 0.0000
338 M A 0.0000
339 T A -0.5420
340 H A -1.0730
341 N A 0.0000
342 L A -1.1420
343 K A -2.5479
344 D A -2.7806
345 P A -1.9110
346 Q A -1.4330
347 A A 0.0000
348 T A 0.0000
349 A A 0.0000
350 F A 0.0000
351 M A 0.0000
352 E A -0.8555
353 D A -1.0192
354 Y A 0.6147
355 T A 0.6815
356 L A 0.9178
357 E A -0.3718
358 L A -0.1975
359 Q A -2.0488
360 K A -2.7736
361 G A -2.3093
362 K A -2.7651
363 E A -1.7371
364 A A 0.0000
365 I A 0.0000
366 L A 0.1435
367 G A 0.0000
368 S A 0.0000
369 H A 0.0000
370 M A 0.4464
371 L A 0.0000
372 E A 0.0000
373 V A 0.0000
374 D A 0.0000
375 P A 0.0000
376 G A -0.5014
377 I A 0.0000
378 A A -0.9414
379 T A 0.0000
380 S A -1.6571
381 D A -2.7652
382 K A -2.7121
383 P A -2.0228
384 I A -1.3953
385 R A -1.5523
386 V A 0.0000
387 E A 0.0000
388 V A 0.0000
389 H A -0.9513
390 P A -0.8727
391 L A -0.8625
392 D A -1.6605
393 I A -0.2212
394 G A -0.4787
395 G A -1.1711
396 K A -1.4363
397 A A -1.3371
398 D A -1.2560
399 P A 0.0000
400 A A 0.0000
401 R A 0.0000
402 L A 0.0000
403 V A 0.0000
404 F A 0.0000
405 T A -1.2732
406 G A 0.0000
407 R A -1.7675
408 E A -2.6431
409 G A 0.0000
410 K A -3.0536
411 D A -2.8889
412 A A -1.4688
413 A A 0.0000
414 M A 0.0000
415 D A 0.0000
416 I A 0.0000
417 T A 0.0000
418 I A 0.0000
419 S A 0.0000
420 D A -1.3937
421 F A -0.7602
422 E A -2.2656
423 G A -1.6708
424 T A -1.4513
425 E A 0.0000
426 Y A 0.0000
427 R A 0.0000
428 M A 0.0000
429 I A 0.0000
430 G A 0.0000
431 Y A 0.0000
432 A A 0.0000
433 V A 0.0000
434 T A -1.6040
435 G A 0.0000
436 N A -1.5887
437 K A -1.8838
438 A A -1.6651
439 P A -1.8566
440 K A -2.8433
441 E A -2.9524
442 T A -1.6907
443 P A -1.3932
444 H A -1.2285
445 L A -0.5045
446 P A -0.2382
447 V A 0.0210
448 A A 0.0000
449 K A 0.0000
450 Q A 0.0000
451 M A 0.0000
452 W A 0.0000
453 T A -1.0170
454 P A 0.0000
455 K A -1.7529
456 A A -2.1471
457 G A -1.5088
458 L A 0.0000
459 K A -1.5939
460 A A -1.4818
461 G A 0.0000
462 A A -0.1295
463 T A 0.0004
464 Q A 0.0000
465 W A 0.0000
466 I A 1.4916
467 H A 0.1043
468 D A 0.0000
469 G A 0.2519
470 G A 0.1733
471 G A 0.0000
472 H A -0.5895
473 H A 0.0000
474 T A 0.0000
475 V A 0.0000
476 L A 0.0000
477 T A 0.0000
478 F A 0.0000
479 S A -0.5669
480 A A 0.0000
481 S A -1.0300
482 E A -1.4237
483 T A -1.0371
484 Q A 0.0000
485 I A 0.0000
486 Q A -1.0588
487 D A -0.9920
488 L A 0.0000
489 A A 0.0000
490 T A -0.6970
491 M A -0.4477
492 F A 0.0000
493 G A -0.6755
494 L A 0.0000
495 P A -0.3434
496 F A -0.2212
497 D A 0.0000
498 D A -1.0339
499 I A 0.0000
500 K A -2.3708
501 K A -2.9510
502 N A -2.2896
503 T A -1.9611
504 T A -1.6144
505 L A -1.4942
506 R A -2.8083
507 K A -2.7553
508 F A 0.0000
509 K A -2.5983
510 N A -2.8527
511 E A -2.5950
512 L A -1.8073
513 R A -2.3106
514 W A -0.9305
515 N A -1.1638
516 E A -1.7262
517 A A -0.6759
518 L A 0.1171
519 Y A -0.9675
520 R A -1.8759
521 L A 0.0388
522 R A -1.0973
523 K A -1.4074
524 G A -0.3225
525 L A 1.2264
526 L A 1.5067
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Laboratory of Theory of Biopolymers 2018