Project name: yangyangwai

Status: done

Started: 2026-03-25 14:24:54
Settings
Chain sequence(s) A: MSNPAMAEDANLKIKDYEFWFIVGSQHLYGKELPGTLDAVKEDAEKIINEINASGKLPYPIVFKTVATTADSITQVMKEVNYNDNVAGVITWMHTFSPAKNWIRGTKLLQKPLLHLATQFLDHIPWETIDMDYMNLHQSAHGDREYGFINARLNKNNKIVVGHWKDEKVQTQIGQWMDVAVAFNESFNIKVARFGDNMRNVAVTDGDKIEAQIQFGWTVDYYGIGDLVAEMKEVTDQEIEAVCAECQEKYELVVGNNDPAYFEDHVKEQIRIEIALRKFLDRGGYTAFTTNFEDLWGDGRMKQLPGMAVQRLNAEYGYGFAGEGDWKTAALDRLVKIMAHNLKDPEKTGFMEDYTYNLVKGHEEILGSHMLEVDPTLATSGKIIRVEVHPLGIGDREDPARLVFDGTDGKDAAVNLTVSDFEGDQFKLVMYEVDGKKPAEAAPKLPVARQLWTPKPGFYEGVQKWIENGGGHHTVLSFAVTAEQIEDFAKMVGLKTVKIKKNTTLRKFKNELRWNEALYRLRKGLL
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                                          (00:20:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:20:23)
Show buried residues

Minimal score value
-3.6257
Maximal score value
2.0038
Average score
-0.7479
Total score value
-393.4048

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 0.5901
2 S A -0.2593
3 N A -0.9916
4 P A -0.4323
5 A A -0.2355
6 M A 0.1713
7 A A -0.5672
8 E A -1.9463
9 D A -1.7782
10 A A -1.6257
11 N A -1.8919
12 L A 0.0000
13 K A -2.4853
14 I A -1.3573
15 K A -2.5397
16 D A -2.8635
17 Y A 0.0000
18 E A -1.2305
19 F A 0.0000
20 W A 0.0000
21 F A 0.0000
22 I A 0.0000
23 V A 0.0000
24 G A 0.0000
25 S A 0.0000
26 Q A -0.4675
27 H A -1.3002
28 L A -0.8430
29 Y A 0.0000
30 G A -1.9601
31 K A -2.7026
32 E A -2.5927
33 L A -1.5464
34 P A -1.4307
35 G A -1.5041
36 T A 0.0000
37 L A -1.4608
38 D A -2.6218
39 A A -1.8873
40 V A 0.0000
41 K A -2.7511
42 E A -3.3437
43 D A 0.0000
44 A A 0.0000
45 E A -2.9203
46 K A -3.2735
47 I A 0.0000
48 I A 0.0000
49 N A -2.9223
50 E A -3.4027
51 I A 0.0000
52 N A -1.9931
53 A A -1.6154
54 S A -1.9735
55 G A -1.4874
56 K A -1.8895
57 L A -0.9366
58 P A -0.6319
59 Y A 0.0000
60 P A -0.6269
61 I A 0.0000
62 V A 0.2223
63 F A -0.2475
64 K A -0.4224
65 T A -0.3015
66 V A -0.4012
67 A A 0.0000
68 T A -0.5160
69 T A -1.1127
70 A A -1.6798
71 D A -2.2821
72 S A -1.1763
73 I A 0.0000
74 T A 0.0000
75 Q A -1.5646
76 V A 0.0000
77 M A 0.0000
78 K A -0.7256
79 E A -0.8430
80 V A 0.0000
81 N A -0.5946
82 Y A 0.0374
83 N A -1.1240
84 D A -2.4870
85 N A -2.4124
86 V A 0.0000
87 A A 0.0000
88 G A 0.0000
89 V 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 0.0076
97 S A 0.0000
98 P A -0.6583
99 A A 0.0000
100 K A -2.0248
101 N A -1.6801
102 W A 0.0000
103 I A -1.4334
104 R A -2.3681
105 G A 0.0000
106 T A 0.0000
107 K A -1.9747
108 L A -0.7290
109 L A 0.0000
110 Q A -1.2539
111 K A -0.5363
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 0.5629
118 T A 0.0000
119 Q A -0.5371
120 F A -0.4758
121 L A -0.8359
122 D A -2.2861
123 H A -1.2267
124 I A 0.1777
125 P A -0.1197
126 W A 0.3066
127 E A -1.2658
128 T A -0.5697
129 I A -0.2891
130 D A -1.5118
131 M A -0.4292
132 D A -1.5787
133 Y A -0.6166
134 M A -0.1945
135 N A -0.4729
136 L A 0.0339
137 H A 0.0705
138 Q A 0.0000
139 S A 0.0000
140 A A -0.7618
141 H A -1.4244
142 G A 0.0000
143 D A 0.0000
144 R A -1.9387
145 E A -1.2082
146 Y A 0.0000
147 G A -0.4538
148 F A 0.1062
149 I A 0.0000
150 N A 0.0000
151 A A -1.1061
152 R A -1.7257
153 L A -1.5341
154 N A -2.2754
155 K A -2.3206
156 N A -2.0605
157 N A -1.0371
158 K A -0.0402
159 I A 1.6892
160 V A 0.0000
161 V A 1.7710
162 G A -0.4539
163 H A -1.5368
164 W A 0.0000
165 K A -3.2056
166 D A -2.8184
167 E A -3.6257
168 K A -2.9263
169 V A 0.0000
170 Q A -2.3021
171 T A -1.7148
172 Q A -0.9343
173 I A 0.0000
174 G A 0.0000
175 Q A -0.6285
176 W A 0.0000
177 M A 0.0000
178 D A -0.2528
179 V A 0.0000
180 A A 0.0000
181 V A 0.0000
182 A A 0.0000
183 F A 0.2099
184 N A -0.3408
185 E A -0.2490
186 S A 0.0000
187 F A 0.6904
188 N A -0.8656
189 I A 0.0000
190 K A -0.8085
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 -1.1540
197 N A 0.0000
198 M A -1.5956
199 R A -2.5328
200 N A -1.9716
201 V A -0.9319
202 A A -0.6914
203 V A -0.2612
204 T A 0.0000
205 D A -2.2340
206 G A -1.5912
207 D A -1.3670
208 K A -0.4696
209 I A 1.3773
210 E A 0.2465
211 A A 0.0000
212 Q A 0.6086
213 I A 2.0038
214 Q A 0.6240
215 F A 0.0000
216 G A 0.5747
217 W A 0.0000
218 T A -0.0765
219 V A 0.0706
220 D A 0.0743
221 Y A 1.0748
222 Y A 0.3921
223 G A -0.1550
224 I A 0.0000
225 G A -1.2923
226 D A -1.3308
227 L A 0.0000
228 V A 0.0000
229 A A -1.7350
230 E A -1.7710
231 M A 0.0000
232 K A -2.6934
233 E A -2.9911
234 V A 0.0000
235 T A -2.5047
236 D A -3.3830
237 Q A -2.8844
238 E A -2.1629
239 I A 0.0000
240 E A -3.0722
241 A A -1.7148
242 V A -1.4915
243 C A -1.9116
244 A A -1.8957
245 E A -2.6371
246 C A 0.0000
247 Q A -3.0524
248 E A -3.5823
249 K A -2.9645
250 Y A 0.0000
251 E A -2.0589
252 L A -1.0999
253 V A -0.0978
254 V A -0.6363
255 G A -1.0427
256 N A -1.9193
257 N A -1.8673
258 D A -2.3407
259 P A -1.7126
260 A A -1.3829
261 Y A -1.3893
262 F A 0.0000
263 E A -2.7110
264 D A -2.7444
265 H A 0.0000
266 V A 0.0000
267 K A -2.5155
268 E A -1.7966
269 Q A 0.0000
270 I A 0.0000
271 R A -1.6850
272 I A 0.0000
273 E A 0.0000
274 I A -0.5916
275 A A 0.0000
276 L A 0.0000
277 R A -1.5461
278 K A -2.0922
279 F A 0.0000
280 L A 0.0000
281 D A -2.9663
282 R A -2.9767
283 G A -1.8518
284 G A -1.7439
285 Y A 0.0000
286 T A 0.0000
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 -0.6263
293 E A -1.7822
294 D A -1.4762
295 L A 0.0000
296 W A -0.5758
297 G A -1.3579
298 D A -2.2326
299 G A -1.8243
300 R A -2.3352
301 M A 0.0000
302 K A -2.3082
303 Q A 0.0000
304 L A 0.0000
305 P A 0.0000
306 G A 0.0000
307 M A 0.0000
308 A A 0.0000
309 V A 0.0000
310 Q A 0.0000
311 R A 0.0000
312 L A 0.0000
313 N A 0.0000
314 A A -0.4947
315 E A -0.7683
316 Y A -0.4299
317 G A 0.0000
318 Y A 0.0000
319 G A 0.0000
320 F A 0.0000
321 A A 0.0000
322 G A 0.0000
323 E A -0.8356
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 D 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 A A 0.0000
340 H A -1.1326
341 N A 0.0000
342 L A -1.2466
343 K A -2.6355
344 D A -2.8335
345 P A -1.9541
346 E A -1.7121
347 K A -1.2104
348 T A 0.0000
349 G A 0.0000
350 F A 0.0000
351 M A 0.0000
352 E A -0.3269
353 D A 0.0463
354 Y A 1.1493
355 T A 0.9512
356 Y A 1.3911
357 N A 0.4184
358 L A 1.0344
359 V A 0.8315
360 K A -1.2765
361 G A -1.3070
362 H A -1.2261
363 E A -0.3838
364 E A -0.2532
365 I A 0.0000
366 L A 0.5092
367 G A 0.0000
368 S A 0.0000
369 H A 0.0000
370 M A 0.5079
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 T A 0.0000
377 L A 0.0000
378 A A -0.5668
379 T A -1.0105
380 S A -0.8296
381 G A -0.7373
382 K A -0.7528
383 I A -0.1167
384 I A -0.4786
385 R A -0.9569
386 V A 0.0000
387 E A 0.0000
388 V A 0.0000
389 H A -0.8243
390 P A -0.8969
391 L A -0.5602
392 G A -0.7298
393 I A 0.3302
394 G A -1.0679
395 D A -2.2883
396 R A -2.3488
397 E A -2.5152
398 D A -1.6028
399 P A 0.0000
400 A A 0.0000
401 R A 0.0000
402 L A 0.0000
403 V A 0.0211
404 F A 0.0000
405 D A -0.5533
406 G A 0.0000
407 T A -1.6430
408 D A -2.8613
409 G A -2.7028
410 K A -3.4325
411 D A -2.7459
412 A A -1.6402
413 A A 0.0000
414 V A 0.0000
415 N A 0.0000
416 L A 0.0000
417 T A 0.0000
418 V A 0.0000
419 S A 0.0000
420 D A -1.3877
421 F A -0.8730
422 E A -2.0512
423 G A -1.9347
424 D A -1.8078
425 Q A -1.4028
426 F A 0.0000
427 K A -0.5245
428 L A 0.0000
429 V A 0.0000
430 M A 0.0000
431 Y A 0.0000
432 E A -1.3614
433 V A 0.0000
434 D A -2.3313
435 G A 0.0000
436 K A -2.1952
437 K A -1.9819
438 P A 0.0000
439 A A -1.1221
440 E A -1.9114
441 A A -1.0893
442 A A -0.9633
443 P A -1.1802
444 K A -1.6641
445 L A -0.5703
446 P A -0.3629
447 V A -0.0191
448 A A 0.0000
449 R A 0.0000
450 Q A 0.0000
451 L A -0.6550
452 W A 0.0000
453 T A -0.7644
454 P A 0.0000
455 K A -2.1165
456 P A 0.0000
457 G A -1.4510
458 F A 0.0000
459 Y A -0.1604
460 E A -2.2506
461 G A 0.0000
462 V A -0.2094
463 Q A -0.9799
464 K A -0.9387
465 W A -0.0916
466 I A 0.7480
467 E A -1.1753
468 N A 0.0000
469 G A -0.0363
470 G A 0.0072
471 G A 0.0000
472 H A -0.2381
473 H A 0.0000
474 T A 0.0000
475 V A 0.0000
476 L A 0.0000
477 S A 0.0000
478 F A 0.0000
479 A A -0.8199
480 V A 0.0000
481 T A -0.9838
482 A A 0.0000
483 E A -1.9443
484 Q A 0.0000
485 I A 0.0000
486 E A -1.6021
487 D A 0.0000
488 F A 0.0000
489 A A 0.0000
490 K A -1.9384
491 M A -1.1216
492 V A -0.3494
493 G A -1.0824
494 L A 0.0000
495 K A -1.0932
496 T A -0.6929
497 V A 0.0000
498 K A -1.0654
499 I A 0.0000
500 K A -3.1689
501 K A -3.5157
502 N A -2.5215
503 T A -2.1188
504 T A -1.3483
505 L A -0.5820
506 R A -2.4275
507 K A -2.8291
508 F A -1.6289
509 K A -2.2538
510 N A -2.7357
511 E A -2.3665
512 L A -1.9924
513 R A -2.6783
514 W A -1.1810
515 N A -1.7563
516 E A -2.6345
517 A A -1.0927
518 L A -0.1539
519 Y A -1.4552
520 R A -1.9666
521 L A 0.0585
522 R A -1.0184
523 K A -1.0557
524 G A -0.0904
525 L A 1.3578
526 L A 1.6835
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Laboratory of Theory of Biopolymers 2018