Project name: yangyangwai

Status: done

Started: 2026-03-25 14:17:44
Settings
Chain sequence(s) A: MSNPNMSEDANLQLKDYEFWFVTGSQHLYGEELPGTLKQVEEHAREIVEGLNASGALPYKIVFKPVVTTSETIRKLMKEANYNEKCAGVITWMHTFSPAKMWIRGLSALQKPLLHLHTQFNRDIPWDTIDMDFMNLNQSAHGDREYGFINARLGMSRKVVVGYWEDPEVQKKIGQWMRTAVAFNESRHIKVARFGDNMRNVAVTEGDKVEAQIQFGWSVDGYGIGDLVEAVNEVSDQEVDTLFEEYEELYDIVPEGRDDEPFREHVKEQARIEIGLRRFLEEGGYTAFTTNFEDLHGDGRMKQLPGLAVQRLMAEYGYGFGGEGDWKTAALVRLMKIMAEGLKDPKGTSFMEDYTYNLEPGNEAILGAHMLEVCPTIATATKPIRIEVHPLSIGDKEDPARLVFDGKEGKPAAVNASLVDLEGDRFRLVINEVDAKKPEKDMPKLPVARVLWKPKPSLRTGAEAWILAGGAHHTCFSYALTAEQLQDWAEMAGIECVVIDKNTTIHSFKNELRWNEAFYRLRKGLL
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                                          (00:18:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:19)
Show buried residues

Minimal score value
-4.0393
Maximal score value
1.8713
Average score
-0.8291
Total score value
-436.0804

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 0.8580
2 S A -0.1062
3 N A -0.6084
4 P A -0.7647
5 N A -1.4768
6 M A -0.5571
7 S A -1.2913
8 E A -2.3421
9 D A -1.8436
10 A A -1.5863
11 N A -1.8559
12 L A 0.0000
13 Q A -2.2826
14 L A -1.5449
15 K A -2.3018
16 D A -2.9094
17 Y A 0.0000
18 E A -1.6881
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 -0.3925
27 H A -1.3171
28 L A -0.8090
29 Y A 0.0000
30 G A -2.0378
31 E A -2.8186
32 E A -2.6631
33 L A -1.6456
34 P A -1.5411
35 G A -1.6469
36 T A 0.0000
37 L A -1.4629
38 K A -2.5763
39 Q A -2.2474
40 V A 0.0000
41 E A -2.4396
42 E A -3.0637
43 H A -2.4638
44 A A 0.0000
45 R A -3.2651
46 E A -3.4109
47 I A 0.0000
48 V A 0.0000
49 E A -3.1229
50 G A -2.1767
51 L A 0.0000
52 N A -1.8087
53 A A -1.0941
54 S A -0.9732
55 G A -0.5649
56 A A -0.8852
57 L A -0.7932
58 P A -0.9574
59 Y A -1.1082
60 K A -2.0993
61 I A 0.0000
62 V A -0.4721
63 F A -0.6669
64 K A -0.2803
65 P A -0.4233
66 V A -0.1929
67 V A 0.0000
68 T A -0.5067
69 T A -1.0988
70 S A -1.9270
71 E A -2.8183
72 T A -1.7194
73 I A 0.0000
74 R A -2.9878
75 K A -3.3608
76 L A 0.0000
77 M A 0.0000
78 K A -2.2955
79 E A -2.3128
80 A A 0.0000
81 N A -1.2560
82 Y A -0.4304
83 N A -1.5985
84 E A -2.6667
85 K A -2.3834
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 -0.0196
97 S A 0.0000
98 P A -0.4919
99 A A 0.0000
100 K A -1.8132
101 M A -1.3598
102 W A 0.0000
103 I A -1.1043
104 R A -2.6118
105 G A 0.0000
106 L A 0.0000
107 S A -0.8592
108 A A -1.3150
109 L A 0.0000
110 Q A -1.3245
111 K A -0.8873
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 0.3522
118 T A 0.0000
119 Q A -0.9097
120 F A -1.1469
121 N A -1.8705
122 R A -2.9087
123 D A -1.9019
124 I A -0.1082
125 P A -0.3321
126 W A 0.2703
127 D A -1.2432
128 T A -0.6744
129 I A -0.2534
130 D A -1.4112
131 M A -0.2907
132 D A -1.4716
133 F A -0.3856
134 M A 0.1120
135 N A -0.4072
136 L A -0.0333
137 N A -0.0404
138 Q A 0.0000
139 S A 0.0000
140 A A -0.8067
141 H A -1.4291
142 G A 0.0000
143 D A 0.0000
144 R A -1.7919
145 E A -0.9668
146 Y A 0.0000
147 G A -0.1999
148 F A 0.8073
149 I A 0.0000
150 N A 0.0000
151 A A -0.2112
152 R A -1.0797
153 L A -0.1819
154 G A -0.5912
155 M A -0.6367
156 S A -0.7509
157 R A -0.7537
158 K A -0.3203
159 V A 1.2717
160 V A 0.0000
161 V A 1.6676
162 G A -0.1894
163 Y A -1.2294
164 W A 0.0000
165 E A -2.4698
166 D A -2.5629
167 P A -2.3444
168 E A -2.8129
169 V A 0.0000
170 Q A 0.0000
171 K A -2.5243
172 K A -1.8654
173 I A 0.0000
174 G A 0.0000
175 Q A -1.1228
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 N A -1.0496
185 E A -1.0245
186 S A 0.0000
187 R A -1.5752
188 H A -1.8095
189 I A 0.0000
190 K A -1.1198
191 V A 0.0000
192 A A 0.0000
193 R A 0.0000
194 F A 0.0000
195 G A -1.5201
196 D A -2.6385
197 N A -2.0573
198 M A -1.8007
199 R A -2.8074
200 N A -2.0951
201 V A -1.0337
202 A A -0.7531
203 V A -0.3517
204 T A 0.0000
205 E A -2.4712
206 G A -1.8484
207 D A -1.8723
208 K A -0.7622
209 V A 1.1411
210 E A -0.0729
211 A A 0.0000
212 Q A -0.1349
213 I A 1.5678
214 Q A 0.3574
215 F A 0.0000
216 G A -0.6341
217 W A 0.0000
218 S A -0.5405
219 V A -0.4594
220 D A -0.7800
221 G A -0.9461
222 Y A -0.7112
223 G A -1.2888
224 I A 0.0000
225 G A -2.2758
226 D A -1.8105
227 L A 0.0000
228 V A 0.0000
229 E A -3.4123
230 A A 0.0000
231 V A 0.0000
232 N A -2.6685
233 E A -2.8883
234 V A 0.0000
235 S A -2.4957
236 D A -3.3915
237 Q A -3.0574
238 E A -2.9485
239 V A 0.0000
240 D A -3.0952
241 T A -2.3559
242 L A -2.0080
243 F A 0.0000
244 E A -3.4895
245 E A -2.6836
246 Y A 0.0000
247 E A -3.2670
248 E A -3.1294
249 L A -1.3616
250 Y A 0.0000
251 D A -1.7625
252 I A -0.9647
253 V A -0.8215
254 P A -2.2073
255 E A -2.5335
256 G A -2.2562
257 R A -3.0005
258 D A -3.8011
259 D A -4.0393
260 E A -3.8884
261 P A -2.9646
262 F A 0.0000
263 R A -3.0587
264 E A -3.1806
265 H A -2.1849
266 V A 0.0000
267 K A -2.3355
268 E A -1.7944
269 Q A 0.0000
270 A A 0.0000
271 R A -1.4550
272 I A 0.0000
273 E A 0.0000
274 I A -0.5523
275 G A 0.0000
276 L A 0.0000
277 R A -1.3108
278 R A -1.7100
279 F A -1.4878
280 L A 0.0000
281 E A -2.6284
282 E A -2.7175
283 G A -1.6853
284 G A -1.6133
285 Y A 0.0000
286 T A -0.7557
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 -0.7236
293 E A -1.5787
294 D A -1.8269
295 L A 0.0000
296 H A -2.5119
297 G A -2.8786
298 D A -3.1657
299 G A -2.7889
300 R A -3.6102
301 M A 0.0000
302 K A -2.6321
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 -0.1011
315 E A -0.4163
316 Y A 0.0000
317 G A -0.4814
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 -0.7948
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 I A 0.0000
338 M A 0.0000
339 A A 0.0000
340 E A -2.0150
341 G A -1.6498
342 L A -1.8268
343 K A -2.8081
344 D A -2.9523
345 P A -2.0155
346 K A -1.7185
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 -0.3589
353 D A -0.0471
354 Y A 1.0586
355 T A 0.9299
356 Y A 0.9612
357 N A 0.0281
358 L A 0.3161
359 E A -1.3175
360 P A -1.0708
361 G A -1.0119
362 N A -1.1525
363 E A -0.9101
364 A 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 0.4645
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 -0.2872
377 I A 0.0000
378 A A 0.0000
379 T A -1.0173
380 A A -0.4063
381 T A -0.9409
382 K A -1.9180
383 P A -1.1445
384 I A -0.5057
385 R A -0.6612
386 I A 0.0000
387 E A 0.0000
388 V A 0.0000
389 H A -0.7737
390 P A -0.7644
391 L A -0.4623
392 S A -0.5869
393 I A 0.2787
394 G A -1.0578
395 D A -2.2052
396 K A -2.1742
397 E A -2.1958
398 D A -1.4623
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 -1.0673
406 G A 0.0000
407 K A -1.5986
408 E A -2.4095
409 G A -2.1161
410 K A -2.4289
411 P A -1.5662
412 A A -1.2734
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 V A 0.0000
420 D A -1.6356
421 L A -1.5157
422 E A -2.6259
423 G A -2.5735
424 D A -3.1039
425 R A -2.1860
426 F A 0.0000
427 R A 0.0000
428 L A 0.0000
429 V A 0.0000
430 I A 0.0000
431 N A 0.0000
432 E A -0.9492
433 V A 0.0000
434 D A -1.5919
435 A A 0.0000
436 K A -2.1652
437 K A -2.4994
438 P A 0.0000
439 E A -3.3103
440 K A -3.5663
441 D A -3.3004
442 M A -1.8602
443 P A -1.6239
444 K A -1.8636
445 L A -0.7904
446 P A -0.3699
447 V A 0.0149
448 A A 0.0000
449 R A 0.0000
450 V A 0.0000
451 L A -0.8995
452 W A 0.0000
453 K A -1.0794
454 P A 0.0000
455 K A -1.8940
456 P A -1.9349
457 S A -1.5503
458 L A 0.0000
459 R A -2.2643
460 T A -1.5881
461 G A 0.0000
462 A A -0.8691
463 E A -1.4487
464 A A 0.0000
465 W A 0.0000
466 I A 1.5693
467 L A 0.9706
468 A A 0.0000
469 G A 0.5066
470 G A 0.4381
471 A A 0.0000
472 H A -0.2856
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 Y A 0.0000
479 A A -0.8277
480 L A 0.0000
481 T A -0.7976
482 A A 0.0000
483 E A -2.1409
484 Q A 0.0000
485 L A 0.0000
486 Q A -1.6220
487 D A -1.7028
488 W A 0.0000
489 A A 0.0000
490 E A -2.1076
491 M A -1.1953
492 A A 0.0000
493 G A -0.8476
494 I A 0.0000
495 E A 0.0000
496 C A -0.3082
497 V A 0.0000
498 V A -0.4320
499 I A 0.0000
500 D A -1.7269
501 K A -2.6617
502 N A -2.2611
503 T A -1.3796
504 T A -1.1248
505 I A -0.8663
506 H A -1.4181
507 S A -1.3778
508 F A 0.0000
509 K A -1.7602
510 N A -2.1356
511 E A -2.0171
512 L A 0.0000
513 R A -2.0196
514 W A -0.1118
515 N A -0.3676
516 E A -0.9775
517 A A 0.1434
518 F A 1.3392
519 Y A -0.2450
520 R A -1.3762
521 L A 1.0095
522 R A 0.2521
523 K A -0.7250
524 G A 0.1066
525 L A 1.6886
526 L A 1.8713
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Laboratory of Theory of Biopolymers 2018