Project name: yangyangwai

Status: done

Started: 2026-03-25 14:25:56
Settings
Chain sequence(s) A: MSNPNMSEDANLSLRPYEFWFVTGSQHLYGEELPGALKQVEEHSMMIVNELNQDSVFPFPLVFKSVVTTPEEIRRVCLEANASEQCAGVITWMHTFSPAKMWIGGLLELRKPLLHLHTQFNRDIPWDSIDMDFMNLNQSAHGDREYGFIGARMGVARKVVVGHWEDPEVRERLAKWMRTAVAFAESRNLKVARFGDNMREVAVTEGDKVGAQIQFGWSVNGYGIGDLVQYIRDVSEQKVNELLDEYEELYDIVPAGRQEGPVRESIREQARIELGLKAFLQDGNFTAFTTTFEDLHGDGRMKQLPGLAVQRLMAEYGYGFGGEGDWKTAALVRLMKVMADGLKDPKGTSFMEDYTYHFEPGNEMILGAHMLEVCPTIATATRPIRIEVHPLSIGGKEDPARLVFDGGEGKAAAVNASLIDLEGHRFRLIVNEVDAVKPEHDMPKLPVARILWKPRPSLRDSAEAWILAGGAHHTCFSFAVTTEQLQDFAEMAGIECVVINEHTSVSSFKNELKWNEVFWRGRQGLL
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                                          (00:05:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:55)
Show buried residues

Minimal score value
-4.1583
Maximal score value
1.6193
Average score
-0.7494
Total score value
-394.1933

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 0.6054
2 S A -0.6770
3 N A -1.5787
4 P A -1.1504
5 N A -1.5472
6 M A -0.7559
7 S A -1.4677
8 E A -2.7842
9 D A -2.8263
10 A A -1.7950
11 N A -1.8724
12 L A -0.9816
13 S A -0.7370
14 L A -0.9478
15 R A -2.0300
16 P A -1.3986
17 Y A 0.0000
18 E A -0.8269
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 -0.2953
27 H A -1.3101
28 L A -0.7714
29 Y A 0.0000
30 G A -2.1764
31 E A -2.8644
32 E A -2.7194
33 L A -1.7295
34 P A -1.7029
35 G A -1.8184
36 A A -1.9445
37 L A -1.6168
38 K A -2.6450
39 Q A -2.1372
40 V A 0.0000
41 E A -1.6605
42 E A -1.7021
43 H A 0.0000
44 S A 0.0000
45 M A -0.3515
46 M A -0.3074
47 I A 0.0000
48 V A 0.0000
49 N A -1.9846
50 E A -2.3461
51 L A 0.0000
52 N A -2.1266
53 Q A -2.4413
54 D A -1.6577
55 S A -0.7986
56 V A -0.6371
57 F A -0.5383
58 P A -0.3701
59 F A -0.0048
60 P A -0.5342
61 L A 0.0000
62 V A 0.2505
63 F A 0.3005
64 K A -0.1257
65 S A -0.3579
66 V A 0.0000
67 V A 0.0000
68 T A -0.7209
69 T A -1.6815
70 P A -2.0987
71 E A -3.1470
72 E A -2.5296
73 I A 0.0000
74 R A -2.9684
75 R A -3.5860
76 V A -2.1960
77 C A 0.0000
78 L A -1.9202
79 E A -2.5023
80 A A 0.0000
81 N A -1.9992
82 A A -1.4292
83 S A -1.7159
84 E A -2.6842
85 Q A -2.0597
86 C 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 0.0163
97 S A 0.0000
98 P A -0.5270
99 A A 0.0000
100 K A -1.6474
101 M A 0.0000
102 W A 0.0000
103 I A -0.1377
104 G A -0.7532
105 G A 0.0000
106 L A 0.0000
107 L A 1.0109
108 E A -0.6398
109 L A -1.0186
110 R A -1.8383
111 K A -1.2773
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 H A 0.3285
118 T A 0.0000
119 Q A -0.8193
120 F A -0.6436
121 N A -1.5793
122 R A -2.9871
123 D A -2.2219
124 I A -0.2938
125 P A -0.4297
126 W A 0.1806
127 D A -1.2909
128 S A -0.6482
129 I A -0.2258
130 D A -1.4593
131 M A -0.4038
132 D A -1.5549
133 F A -0.5070
134 M A -0.1327
135 N A -0.6087
136 L A 0.0000
137 N A 0.0000
138 Q A 0.0000
139 S A 0.0000
140 A A -0.7281
141 H A -1.2945
142 G A 0.0000
143 D A 0.0000
144 R A -1.7401
145 E A -0.9283
146 Y A 0.0000
147 G A -0.1794
148 F A 0.7529
149 I A 0.0000
150 G A 0.0000
151 A A -0.2333
152 R A -1.1930
153 M A -0.1461
154 G A -0.6314
155 V A -0.2218
156 A A -0.7671
157 R A -0.6129
158 K A -0.3304
159 V A 1.2571
160 V A 0.0000
161 V A 1.5251
162 G A -0.3585
163 H A -1.5747
164 W A 0.0000
165 E A -2.4768
166 D A -2.4944
167 P A -2.3805
168 E A -2.8913
169 V A 0.0000
170 R A -2.1651
171 E A -2.4225
172 R A -1.7901
173 L A 0.0000
174 A A 0.0000
175 K A -1.1989
176 W A 0.0000
177 M A 0.0000
178 R A 0.0000
179 T A 0.0000
180 A A 0.0000
181 V A 0.0000
182 A A 0.0000
183 F A 0.0000
184 A A -1.2675
185 E A -1.2152
186 S A 0.0000
187 R A -1.7994
188 N A -2.2654
189 L A 0.0000
190 K A -1.5838
191 V A 0.0000
192 A A 0.0000
193 R A 0.0000
194 F A 0.0000
195 G A -1.6417
196 D A -2.5614
197 N A 0.0000
198 M A -1.8863
199 R A -2.9571
200 E A -2.5755
201 V A -1.2656
202 A A -0.8915
203 V A -0.4348
204 T A 0.0000
205 E A -2.4549
206 G A -1.6172
207 D A -1.2179
208 K A -0.5686
209 V A 1.1846
210 G A 0.2725
211 A A 0.0000
212 Q A -0.1996
213 I A 1.5094
214 Q A 0.1941
215 F A 0.0000
216 G A -0.8079
217 W A 0.0000
218 S A -0.7782
219 V A 0.0000
220 N A -1.2004
221 G A -1.0627
222 Y A -0.7754
223 G A -1.3794
224 I A 0.0000
225 G A -1.9111
226 D A -1.6616
227 L A 0.0000
228 V A 0.0000
229 Q A -2.2332
230 Y A -1.2451
231 I A 0.0000
232 R A -1.9753
233 D A -2.3742
234 V A -1.8370
235 S A -2.3516
236 E A -3.4429
237 Q A -3.5465
238 K A -3.8154
239 V A 0.0000
240 N A -3.6871
241 E A -4.1583
242 L A 0.0000
243 L A 0.0000
244 D A -3.9013
245 E A -3.0090
246 Y A 0.0000
247 E A -3.1533
248 E A -2.8166
249 L A -0.9781
250 Y A 0.0000
251 D A -1.5448
252 I A 0.0000
253 V A -0.5355
254 P A -1.0046
255 A A -1.2156
256 G A 0.0000
257 R A -3.0992
258 Q A -3.1758
259 E A -3.1535
260 G A -1.9653
261 P A -1.2515
262 V A -1.2137
263 R A -2.0873
264 E A -1.9491
265 S A 0.0000
266 I A 0.0000
267 R A -1.0748
268 E A 0.0000
269 Q A 0.0000
270 A A 0.0000
271 R A 0.0000
272 I A 0.0000
273 E A 0.0000
274 L A -0.2283
275 G A 0.0000
276 L A 0.0000
277 K A -0.4571
278 A A -0.8282
279 F A 0.0000
280 L A 0.0000
281 Q A -1.5191
282 D A -2.5195
283 G A -1.7251
284 N A -2.1699
285 F A 0.0000
286 T A -0.6487
287 A A 0.0000
288 F A 0.0000
289 T A 0.0000
290 T A 0.0000
291 T A 0.0000
292 F A -0.9049
293 E A -2.2165
294 D A -2.4678
295 L A 0.0000
296 H A -2.4900
297 G A 0.0000
298 D A -2.6719
299 G A -2.4195
300 R A -2.3748
301 M A 0.0000
302 K A -2.5964
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 V A 0.0000
310 Q A 0.0000
311 R A 0.0000
312 L A 0.0000
313 M A 0.0000
314 A A -0.3974
315 E A -0.7502
316 Y A -0.6309
317 G A -0.6343
318 Y A 0.0000
319 G A 0.0000
320 F A 0.0000
321 G A 0.0000
322 G 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 V A 0.0000
333 R A 0.0000
334 L A 0.0000
335 M A 0.0000
336 K A -0.6941
337 V A 0.0000
338 M A 0.0000
339 A A 0.0000
340 D A -2.1019
341 G A -1.8557
342 L A -1.9511
343 K A -2.8778
344 D A -2.9507
345 P A -2.3621
346 K A -1.9057
347 G A 0.0000
348 T A 0.0000
349 S A 0.0000
350 F A 0.0000
351 M A 0.0000
352 E A -0.4314
353 D A -0.2076
354 Y A 1.0067
355 T A 0.8869
356 Y A 0.9357
357 H A 0.1343
358 F A 0.7162
359 E A -0.8011
360 P A -0.8172
361 G A -0.9045
362 N A -1.0386
363 E A -1.0512
364 M A 0.0000
365 I A 0.0000
366 L A 0.3397
367 G A 0.0000
368 A A 0.0000
369 H A 0.0000
370 M A 0.4706
371 L A 0.0000
372 E A 0.0000
373 V A 0.0000
374 C A 0.0000
375 P A 0.0000
376 T A -0.3490
377 I A 0.0000
378 A A -0.4592
379 T A -0.7097
380 A A -0.4282
381 T A -0.4862
382 R A -0.9746
383 P A -0.6903
384 I A -0.2349
385 R A -0.5375
386 I A 0.0000
387 E A -0.2958
388 V A -0.3448
389 H A -0.7134
390 P A -1.0050
391 L A -0.5464
392 S A -0.3940
393 I A 0.5362
394 G A -0.7728
395 G A -1.2459
396 K A -2.1464
397 E A -2.9889
398 D A -2.1553
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 D A 0.0000
406 G A 0.0000
407 G A -1.2869
408 E A -2.4602
409 G A -2.1058
410 K A -2.1862
411 A A -1.1883
412 A A -0.9868
413 A A 0.0000
414 V A 0.0000
415 N A 0.0000
416 A A 0.0000
417 S A 0.0000
418 L A 0.0000
419 I A 0.0000
420 D A -1.3715
421 L A -1.1222
422 E A -2.2576
423 G A -1.8768
424 H A -2.0963
425 R A -1.8149
426 F A 0.0000
427 R A 0.0000
428 L A 0.0000
429 I A 0.0000
430 V A 0.0000
431 N A 0.0000
432 E A -0.8971
433 V A 0.0000
434 D A -1.4571
435 A A 0.0000
436 V A -1.4686
437 K A -1.7076
438 P A -2.0440
439 E A -2.8105
440 H A -2.8304
441 D A -2.8520
442 M A -1.6754
443 P A -1.5547
444 K A -1.8642
445 L A -0.7857
446 P A -0.3873
447 V A 0.0366
448 A A 0.0000
449 R A 0.0000
450 I A 0.0000
451 L A 0.0000
452 W A 0.0000
453 K A -1.0870
454 P A 0.0000
455 R A -1.8573
456 P A -1.9583
457 S A -1.7412
458 L A 0.0000
459 R A -2.3291
460 D A -1.8008
461 S A 0.0000
462 A A -0.7948
463 E A -1.4237
464 A A 0.0000
465 W A 0.6714
466 I A 1.6121
467 L A 0.8850
468 A A 0.0000
469 G A 0.5268
470 G A 0.4539
471 A A 0.0000
472 H A -0.3524
473 H A 0.0000
474 T A 0.0000
475 C A 0.0000
476 F A 0.0000
477 S A 0.0000
478 F A 0.0000
479 A A 0.0000
480 V A 0.0000
481 T A -0.7625
482 T A 0.0000
483 E A -2.0726
484 Q A 0.0000
485 L A 0.0000
486 Q A -1.6667
487 D A -1.6903
488 F A 0.0000
489 A A 0.0000
490 E A -2.0484
491 M A -1.2354
492 A A 0.0000
493 G A -0.9867
494 I A 0.0000
495 E A 0.0000
496 C A -0.2920
497 V A 0.0000
498 V A -0.3157
499 I A 0.0000
500 N A -1.6645
501 E A -2.6467
502 H A -2.0105
503 T A -1.2645
504 S A -0.8941
505 V A -0.9827
506 S A -0.8098
507 S A -1.0914
508 F A 0.0000
509 K A -1.8866
510 N A -1.8691
511 E A -1.8737
512 L A 0.0000
513 K A -1.5065
514 W A 0.3974
515 N A -0.0349
516 E A -0.3702
517 V A 1.2648
518 F A 0.9287
519 W A 0.0000
520 R A -1.8574
521 G A -0.7180
522 R A -0.7100
523 Q A -1.4557
524 G A -0.5261
525 L A 1.2224
526 L A 1.6193
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Laboratory of Theory of Biopolymers 2018