Project name: yangyangwai

Status: done

Started: 2026-03-25 14:24:21
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)                                                   (00:00:01)
[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                                          (00:20:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:20:54)
Show buried residues

Minimal score value
-3.8974
Maximal score value
2.075
Average score
-0.7392
Total score value
-388.7975

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 0.5790
2 S A -0.3198
3 N A -1.0920
4 P A -1.0059
5 A A -0.9509
6 M A -0.4699
7 A A -1.2498
8 E A -2.9179
9 D A -2.6345
10 A A -1.7184
11 N A -1.6493
12 L A -1.4727
13 K A -2.4039
14 I A -1.3193
15 K A -2.4066
16 D A -2.8096
17 Y A 0.0000
18 E A -1.2179
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 -0.5155
27 H A -1.4198
28 L A -1.0444
29 Y A 0.0000
30 G A -2.0804
31 K A -2.7878
32 E A -2.6656
33 L A -1.6114
34 P A -1.4859
35 G A -1.5487
36 T A -1.6229
37 L A -1.4884
38 D A -2.6665
39 A A -1.9105
40 V A 0.0000
41 K A -2.8714
42 E A -3.3931
43 D A 0.0000
44 A A 0.0000
45 E A -2.8376
46 K A -3.2073
47 I A 0.0000
48 I A 0.0000
49 N A -2.7383
50 E A -2.9975
51 I A 0.0000
52 N A -1.8829
53 A A -1.4896
54 S A -1.8544
55 G A -1.4667
56 K A -2.0036
57 L A -0.9545
58 P A -0.6704
59 Y A 0.0000
60 P A -0.6040
61 I A 0.0000
62 V A 0.2488
63 F A -0.2374
64 K A -0.3804
65 T A -0.2861
66 V A -0.2923
67 A A 0.0000
68 T A -0.5410
69 T A -1.1239
70 A A -1.7593
71 D A -2.4473
72 S A -1.3834
73 I A 0.0000
74 T A -1.9700
75 Q A -2.1268
76 V A 0.0000
77 M A 0.0000
78 K A -0.9261
79 E A -0.9302
80 V A 0.0000
81 N A -0.6031
82 Y A 0.0412
83 N A -1.1690
84 D A -2.5011
85 N A -2.4032
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 0.0384
97 S A 0.0000
98 P A -0.6474
99 A A 0.0000
100 K A -2.0092
101 N A -1.6687
102 W A 0.0000
103 I A -1.4228
104 R A -2.5158
105 G A 0.0000
106 T A 0.0000
107 K A -2.1085
108 L A -1.0578
109 L A 0.0000
110 Q A -1.2388
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 0.5408
118 T A 0.0000
119 Q A -0.3995
120 F A -0.4640
121 L A -0.7757
122 D A -2.3120
123 H A -1.1820
124 I A 0.2632
125 P A -0.0868
126 W A 0.3212
127 E A -1.2722
128 T A -0.5862
129 I A -0.3207
130 D A -1.5756
131 M A -0.4563
132 D A -1.6032
133 Y A -0.6249
134 M A -0.2119
135 N A -0.4902
136 L A 0.0603
137 H A 0.0888
138 Q A 0.0000
139 S A 0.0000
140 A A -0.7542
141 H A -1.3960
142 G A 0.0000
143 D A 0.0000
144 R A -1.9034
145 E A -1.1621
146 Y A 0.0000
147 G A -0.4029
148 F A 0.1888
149 I A 0.0000
150 N A 0.0000
151 A A -1.0882
152 R A -1.6509
153 L A -1.4539
154 N A -2.2746
155 K A -2.2417
156 N A -1.9944
157 N A -0.9984
158 K A -0.0197
159 I A 1.6253
160 V A 0.0000
161 V A 1.6844
162 G A -0.5748
163 H A -1.6902
164 W A 0.0000
165 K A -3.2000
166 D A -3.4433
167 E A -3.8974
168 K A -3.0737
169 V A 0.0000
170 Q A 0.0000
171 T A -1.7497
172 Q A -0.8117
173 I A 0.0000
174 G A 0.0000
175 Q A -0.7726
176 W A 0.0000
177 M A 0.0000
178 D A -0.2738
179 V A 0.0000
180 A A 0.0000
181 V A 0.0000
182 A A 0.0000
183 F A 0.2546
184 N A -0.3769
185 E A -0.2016
186 S A 0.0000
187 F A 0.7731
188 N A -0.7838
189 I A 0.0000
190 K A -0.8419
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 -2.2348
197 N A -2.0584
198 M A -1.7748
199 R A -2.8126
200 N A -2.1221
201 V A -1.0575
202 A A -0.7845
203 V A -0.3298
204 T A 0.0000
205 D A -2.5334
206 G A -1.7160
207 D A -1.4793
208 K A -0.5805
209 I A 1.3260
210 E A 0.2612
211 A A 0.0000
212 Q A 0.6294
213 I A 2.0419
214 Q A 0.6568
215 F A 0.0000
216 G A 0.6145
217 W A 0.0000
218 T A -0.0880
219 V A 0.0173
220 D A 0.0420
221 Y A 0.8430
222 Y A 0.1975
223 G A -0.4971
224 I A 0.0000
225 G A -0.8638
226 D A -1.1146
227 L A 0.0000
228 V A 0.0000
229 A A -1.5147
230 E A -1.7528
231 M A 0.0000
232 K A -2.8251
233 E A -3.0019
234 V A 0.0000
235 T A -2.5139
236 D A -3.3399
237 Q A -2.9013
238 E A -2.2196
239 I A 0.0000
240 E A -3.0469
241 A A -1.7313
242 V A 0.0000
243 C A -1.8968
244 A A -1.8462
245 E A -2.5136
246 C A 0.0000
247 Q A -3.0050
248 E A -3.5775
249 K A -2.9609
250 Y A 0.0000
251 E A -1.8437
252 L A -0.9932
253 V A -0.0323
254 V A -0.6136
255 G A -0.9933
256 N A -1.8795
257 N A -1.8231
258 D A -2.3566
259 P A -1.7793
260 A A -1.4870
261 Y A -1.4786
262 F A 0.0000
263 E A -2.9335
264 D A -2.8693
265 H A 0.0000
266 V A 0.0000
267 K A -2.4935
268 E A -1.7956
269 Q A 0.0000
270 I A 0.0000
271 R A -1.6813
272 I A 0.0000
273 E A 0.0000
274 I A 0.0000
275 A A 0.0000
276 L A 0.0000
277 R A -1.5924
278 K A -2.1240
279 F A -1.6936
280 L A 0.0000
281 D A -3.1247
282 R A -3.0753
283 G A -1.9558
284 G A -1.9386
285 Y A 0.0000
286 T A -0.7745
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 -0.3980
293 E A -1.3365
294 D A -1.3585
295 L A 0.0000
296 W A -1.2261
297 G A -1.9468
298 D A -2.3954
299 G A -2.1326
300 R A -2.2513
301 M A 0.0000
302 K A -2.4667
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 -0.3049
315 E A -0.2856
316 Y A 0.0000
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 0.0000
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 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 -1.2681
341 N A 0.0000
342 L A -1.7918
343 K A -2.9097
344 D A -3.0158
345 P A -2.0992
346 E A -2.0097
347 K A -1.1296
348 T A 0.0000
349 G A 0.0000
350 F A 0.0000
351 M A 0.0000
352 E A -0.3970
353 D A -0.1206
354 Y A 1.0525
355 T A 0.8171
356 Y A 1.1498
357 N A 0.3099
358 L A 0.9560
359 V A 0.7908
360 K A -1.2824
361 G A -1.2598
362 H A -1.2364
363 E A -0.4258
364 E A -0.2703
365 I A 0.0000
366 L A 0.4339
367 G A 0.0000
368 S A 0.0000
369 H A 0.0000
370 M A 0.5033
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 -0.5981
379 T A -1.0619
380 S A -0.9658
381 G A -0.9202
382 K A -1.1551
383 I A 0.1889
384 I A -0.4009
385 R A -0.9313
386 V A 0.0000
387 E A 0.0000
388 V A 0.0000
389 H A -0.7761
390 P A -0.8565
391 L A -0.5292
392 G A -0.7270
393 I A 0.3862
394 G A -0.8314
395 D A -2.1774
396 R A -2.0338
397 E A -2.3128
398 D A -1.4978
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 -0.6788
406 G A 0.0000
407 T A 0.0000
408 D A -2.5723
409 G A -2.3235
410 K A -2.9686
411 D A -2.5364
412 A A -1.4840
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 -1.3928
421 F A -0.9097
422 E A -2.0782
423 G A -1.6337
424 D A -2.0303
425 Q A 0.0000
426 F A 0.0000
427 K A 0.0000
428 L A 0.0000
429 V A 0.0000
430 M A 0.0000
431 Y A 0.0000
432 E A -1.5635
433 V A 0.0000
434 D A -1.9441
435 G A 0.0000
436 K A -1.8252
437 K A -1.7103
438 P A 0.0000
439 A A -1.0563
440 E A -1.8984
441 A A -1.1182
442 A A -1.0037
443 P A -1.2007
444 K A -1.6983
445 L A -0.6621
446 P A -0.4259
447 V A -0.1127
448 A A 0.0000
449 R A 0.0000
450 Q A 0.0000
451 L A -0.5434
452 W A 0.0000
453 T A -0.6597
454 P A 0.0000
455 K A -2.0496
456 P A 0.0000
457 G A -1.5026
458 F A 0.0000
459 Y A -0.2541
460 E A -2.3682
461 G A 0.0000
462 V A -0.0913
463 Q A -0.6578
464 K A 0.0000
465 W A 0.0000
466 I A 1.3021
467 E A -0.0791
468 N A 0.0000
469 G A 0.2868
470 G A 0.1960
471 G A 0.0000
472 H A -0.3343
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 -1.0669
479 A A -0.7652
480 V A 0.0000
481 T A -1.0631
482 A A 0.0000
483 E A -2.1666
484 Q A 0.0000
485 I A 0.0000
486 E A -1.6564
487 D A 0.0000
488 F A 0.0000
489 A A 0.0000
490 K A -1.6133
491 M A -0.8815
492 V A -0.0754
493 G A -0.8791
494 L A 0.0000
495 K A -0.6443
496 T A -0.6045
497 V A 0.0000
498 K A -1.3332
499 I A 0.0000
500 K A -3.3851
501 K A -3.7161
502 N A -2.6694
503 T A -2.2209
504 T A -1.4907
505 L A -1.0144
506 R A -2.4405
507 K A -2.5372
508 F A 0.0000
509 K A -2.2889
510 N A -2.5248
511 E A -2.1781
512 L A -1.5970
513 R A -2.2089
514 W A -0.6989
515 N A -1.0008
516 E A -1.0650
517 A A 0.1227
518 L A 0.4064
519 Y A -0.4049
520 R A -0.1194
521 L A 0.8444
522 R A -1.2241
523 K A -1.0257
524 G A 0.1454
525 L A 1.5468
526 L A 2.0750
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Laboratory of Theory of Biopolymers 2018