Project name: yangyangwai

Status: done

Started: 2026-03-25 14:25:24
Settings
Chain sequence(s) A: MSNPNMSEDANLLLRPYEFWFVTGSQHLYGEELPGVLQQVEGHSRTIVNELNRDSVFPFSFVFKSVVTTPEEIRNVCLEANASEQCAGVITWMHTFSPAKMWIGGLLELRKPLLHLHTQFNRDIPWDSIDMDFMNLNQSAHGDREYGFIGARMGVARKVVVGHWEDPEVRERLAKWMRTAVAFAESRQLKVARFGDNMREVAVTEGDKVGAQIQFGWSVNGYGVGDLVQYIRDVSEQKVNELLDEYAELYDMVPAGRQDGPVRESIREQARIELGLKAFLQDGNFTAFTTTFEDLHGDGRMKQLPGLAVQRLMAEYGYGFGGEGDWKTAALVRLMKVMADGLKDPKGTSFMEDYTYHFEPGNELILGAHMLEVCPTIATATRPIRIEVHPLSIGGKEDPARLVFDGGEGKAAAVNASLIDLEGHRFRLIVNEVDAVKPKHNMPKLPVARILWKPRPSLRDSAEAWILAGGAHHTCFSFAVTTEQLQDFAEIIGVECVVINEHTSVASFKNELRWNEVFWGGKQGLL
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                                          (00:12:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:00)
Show buried residues

Minimal score value
-4.2428
Maximal score value
1.8146
Average score
-0.7629
Total score value
-401.2714

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 0.6071
2 S A -0.9191
3 N A -1.7766
4 P A -1.1909
5 N A -1.6146
6 M A -0.9355
7 S A -1.6884
8 E A -2.8784
9 D A -2.8169
10 A A -1.4394
11 N A -1.2662
12 L A -0.2097
13 L A 0.9145
14 L A -0.1747
15 R A -1.8327
16 P A -1.2560
17 Y A 0.0000
18 E A -0.8406
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 -0.3377
27 H A -1.1679
28 L A -0.6423
29 Y A 0.0000
30 G A -1.7727
31 E A -2.6814
32 E A -2.5216
33 L A -1.4297
34 P A -1.3276
35 G A -1.4491
36 V A 0.0000
37 L A -1.2121
38 Q A -2.0054
39 Q A -1.9934
40 V A 0.0000
41 E A -2.0437
42 G A -1.8373
43 H A -1.5050
44 S A 0.0000
45 R A -2.5129
46 T A -1.6729
47 I A 0.0000
48 V A 0.0000
49 N A -2.6275
50 E A -2.8666
51 L A 0.0000
52 N A -2.3518
53 R A -2.9873
54 D A -1.8911
55 S A -0.9227
56 V A -0.7154
57 F A -0.6070
58 P A -0.2864
59 F A 0.0244
60 S A -0.5920
61 F A 0.0000
62 V A -0.0689
63 F A -0.4471
64 K A -0.5822
65 S A -0.6211
66 V A -0.4145
67 V A 0.0000
68 T A 0.0000
69 T A -1.3801
70 P A -1.8009
71 E A -2.6932
72 E A -2.1779
73 I A 0.0000
74 R A -2.0035
75 N A -2.2798
76 V A -1.5610
77 C A 0.0000
78 L A -1.2024
79 E A -2.0450
80 A A 0.0000
81 N A -1.7577
82 A A -1.3305
83 S A -1.6324
84 E A -2.6437
85 Q A -1.9878
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 -0.0033
97 S A 0.0000
98 P A -0.5040
99 A A 0.0000
100 K A -1.6027
101 M A -1.1923
102 W A 0.0000
103 I A 0.1152
104 G A -0.4919
105 G A 0.0000
106 L A 0.0000
107 L A 1.0311
108 E A -0.4469
109 L A -0.9199
110 R A -1.7930
111 K A -1.1922
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 0.3523
118 T A 0.0000
119 Q A -0.9650
120 F A -0.9628
121 N A -2.0349
122 R A -3.2141
123 D A -2.3175
124 I A -0.4543
125 P A -0.5006
126 W A 0.1739
127 D A -1.2911
128 S A -0.6460
129 I A -0.2287
130 D A -1.4413
131 M A -0.3739
132 D A -1.4952
133 F A -0.4950
134 M A -0.1029
135 N A -0.4602
136 L A -0.0830
137 N A 0.0000
138 Q A 0.0000
139 S A 0.0000
140 A A -0.7764
141 H A -1.4163
142 G A 0.0000
143 D A 0.0000
144 R A -1.7919
145 E A -0.9744
146 Y A 0.0000
147 G A -0.1793
148 F A 0.7528
149 I A 0.0000
150 G A 0.0000
151 A A -0.2400
152 R A -1.2488
153 M A -0.1514
154 G A -0.5766
155 V A -0.1893
156 A A -0.6729
157 R A -0.5281
158 K A -0.1780
159 V A 1.3854
160 V A 0.0000
161 V A 1.5663
162 G A -0.3984
163 H A -1.7256
164 W A 0.0000
165 E A -2.8306
166 D A -2.7070
167 P A -2.5265
168 E A -3.0854
169 V A 0.0000
170 R A -2.4521
171 E A -2.9189
172 R A -2.0844
173 L A 0.0000
174 A A 0.0000
175 K A -1.5054
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 -1.3285
185 E A -1.2481
186 S A 0.0000
187 R A -1.9767
188 Q A -2.2796
189 L A 0.0000
190 K A -1.4826
191 V A 0.0000
192 A A 0.0000
193 R A 0.0000
194 F A 0.0000
195 G A -1.4390
196 D A -2.6277
197 N A -2.0427
198 M A -1.8939
199 R A -3.0918
200 E A -2.6258
201 V A -1.2331
202 A A -0.8163
203 V A -0.3104
204 T A 0.0000
205 E A -2.2333
206 G A -1.4417
207 D A -1.1898
208 K A -0.6209
209 V A 1.2459
210 G A 0.0000
211 A A 0.0000
212 Q A -0.0531
213 I A 1.4643
214 Q A 0.1831
215 F A 0.0000
216 G A -0.7763
217 W A 0.0000
218 S A -0.7421
219 V A 0.0000
220 N A -1.2141
221 G A -1.0846
222 Y A -0.7898
223 G A -1.3027
224 V A 0.0000
225 G A -1.9970
226 D A -1.7559
227 L A 0.0000
228 V A 0.0000
229 Q A -2.7054
230 Y A -1.6843
231 I A 0.0000
232 R A -3.1536
233 D A -2.9586
234 V A -2.2156
235 S A -2.5322
236 E A -3.4542
237 Q A -3.5548
238 K A -3.8660
239 V A 0.0000
240 N A -3.8397
241 E A -4.2428
242 L A 0.0000
243 L A 0.0000
244 D A -3.7357
245 E A -2.6630
246 Y A 0.0000
247 A A -2.1680
248 E A -2.2080
249 L A -0.4238
250 Y A 0.0000
251 D A -2.2645
252 M A 0.0000
253 V A -0.8759
254 P A -1.1233
255 A A -1.2445
256 G A 0.0000
257 R A -3.0014
258 Q A -3.2233
259 D A -3.2245
260 G A -2.0877
261 P A -1.4465
262 V A -1.3426
263 R A -2.3993
264 E A -2.6045
265 S A 0.0000
266 I A 0.0000
267 R A -1.5731
268 E A -1.4499
269 Q A 0.0000
270 A A 0.0000
271 R A -1.3717
272 I A 0.0000
273 E A 0.0000
274 L A -0.3938
275 G A 0.0000
276 L A 0.0000
277 K A -0.6240
278 A A -0.9740
279 F A 0.0000
280 L A 0.0000
281 Q A -2.0260
282 D A -2.7072
283 G A -1.8538
284 N A -2.4330
285 F A 0.0000
286 T A -0.6802
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 -0.4351
293 E A -1.3991
294 D A -1.4802
295 L A 0.0000
296 H A -2.3400
297 G A -2.6171
298 D A -2.7967
299 G A -2.5794
300 R A -2.8812
301 M A 0.0000
302 K A -2.8492
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 -0.4022
315 E A -0.8022
316 Y A -0.6325
317 G A -0.3460
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 0.0000
337 V A 0.0000
338 M A 0.0000
339 A A 0.0000
340 D A -1.6608
341 G A -1.5674
342 L A -1.7463
343 K A -2.8089
344 D A -3.1398
345 P A -2.3506
346 K A -2.3188
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 -0.3944
353 D A -0.1900
354 Y A 0.9793
355 T A 0.8591
356 Y A 0.8447
357 H A 0.0005
358 F A 0.4492
359 E A -1.4427
360 P A -1.1212
361 G A -1.0799
362 N A -1.3137
363 E A -1.3337
364 L A 0.0000
365 I A 0.0000
366 L A 0.0000
367 G A 0.0000
368 A A 0.0000
369 H A 0.0000
370 M A 0.4831
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 -0.4201
377 I A 0.0000
378 A A -0.5373
379 T A -0.8686
380 A A -0.4690
381 T A -0.5486
382 R A -1.3826
383 P A -1.1403
384 I A -0.8098
385 R A -1.6053
386 I A 0.0000
387 E A -0.5498
388 V A -0.3636
389 H A -0.6718
390 P A -0.9712
391 L A -0.4871
392 S A -0.3394
393 I A 0.6847
394 G A -0.5331
395 G A -1.1586
396 K A -2.1503
397 E A -3.0438
398 D A -2.1357
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 -1.3159
408 E A -2.5100
409 G A -2.0555
410 K A -2.1274
411 A A -1.1066
412 A A -0.9332
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 -1.3099
421 L A -0.8581
422 E A -2.2107
423 G A -1.5786
424 H A -1.6386
425 R A -1.8817
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 -0.8966
433 V A 0.0000
434 D A -1.4472
435 A A 0.0000
436 V A -1.4613
437 K A -1.5857
438 P A -1.8426
439 K A -2.5584
440 H A -2.5000
441 N A -2.3018
442 M A -1.4073
443 P A -1.4044
444 K A -1.8036
445 L A -0.7397
446 P A -0.3788
447 V A 0.0403
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 -1.4373
454 P A 0.0000
455 R A -1.9496
456 P A -2.0252
457 S A -1.8296
458 L A 0.0000
459 R A -2.3185
460 D A -1.7843
461 S A 0.0000
462 A A -0.7499
463 E A -1.2392
464 A A 0.0000
465 W A 0.7158
466 I A 1.6981
467 L A 1.0745
468 A A 0.0000
469 G A 0.5943
470 G A 0.4748
471 A A 0.0000
472 H A -0.3013
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 -0.7588
479 A A -0.6876
480 V A 0.0000
481 T A -0.7588
482 T A 0.0000
483 E A -2.1356
484 Q A 0.0000
485 L A 0.0000
486 Q A -1.6818
487 D A -1.7228
488 F A 0.0000
489 A A 0.0000
490 E A -2.0338
491 I A -1.0854
492 I A 0.0000
493 G A -0.9182
494 V A 0.0000
495 E A 0.0000
496 C A -0.3537
497 V A 0.0000
498 V A -0.3463
499 I A 0.0000
500 N A -1.6789
501 E A -2.6597
502 H A -2.0237
503 T A -1.2402
504 S A -0.7731
505 V A -0.7924
506 A A -0.4284
507 S A -0.8565
508 F A 0.0000
509 K A -1.4065
510 N A -1.8691
511 E A -1.9658
512 L A 0.0000
513 R A -1.8949
514 W A 0.1856
515 N A -0.0773
516 E A -0.7626
517 V A 1.5966
518 F A 1.8146
519 W A 0.3144
520 G A -0.5319
521 G A 0.0011
522 K A -0.4900
523 Q A -1.1262
524 G A -0.3032
525 L A 1.3077
526 L A 1.5889
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Laboratory of Theory of Biopolymers 2018