Project name: 25b30b06e0b311c

Status: done

Started: 2024-07-24 20:29:47
Settings
Chain sequence(s) A: MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
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                                          (00:04:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:05)
Show buried residues

Minimal score value
-3.5482
Maximal score value
3.2336
Average score
-0.3942
Total score value
-211.3092

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 0.5090
2 E A -0.2627
3 F A 1.0430
4 S A 0.2699
5 S A -0.0410
6 P A -0.8841
7 S A -1.7134
8 R A -3.2806
9 E A -3.5482
10 E A -2.8818
11 C A -0.9959
12 P A -1.0789
13 K A -1.4967
14 P A -0.5357
15 L A 0.6417
16 S A 0.0207
17 R A -0.7336
18 V A 1.0401
19 S A 1.5680
20 I A 2.7160
21 M A 1.8604
22 A A 0.7544
23 G A 0.2527
24 S A 0.3897
25 L A 1.3370
26 T A 0.9196
27 G A 1.2901
28 L A 2.9012
29 L A 3.2336
30 L A 3.1112
31 L A 2.6732
32 Q A 0.7675
33 A A 1.0333
34 V A 1.7406
35 S A 0.9766
36 W A 1.4684
37 A A 0.3667
38 S A -0.4698
39 G A -1.1164
40 A A -1.4138
41 R A -0.8734
42 P A -0.5527
43 C A -0.1435
44 I A 0.6650
45 P A -0.4596
46 K A -0.8933
47 S A -0.3262
48 F A 0.4560
49 G A -0.0401
50 Y A 0.2034
51 S A -0.4392
52 S A 0.0000
53 V A -0.3877
54 V A 0.0000
55 C A 0.0000
56 V A 0.1416
57 C A 0.0000
58 N A -0.8522
59 A A -0.6631
60 T A -0.1018
61 Y A 0.1528
62 C A 0.0000
63 D A 0.0000
64 S A -1.1642
65 F A -1.6070
66 D A -2.3302
67 P A -1.5358
68 P A -0.6353
69 T A -0.1897
70 F A 0.1902
71 P A 0.0000
72 A A 0.3154
73 L A 0.6470
74 G A -0.0045
75 T A 0.2265
76 F A 0.0000
77 S A 0.0000
78 R A -0.0615
79 Y A 0.0000
80 E A 0.0000
81 S A 0.0000
82 T A 0.0000
83 R A -1.7374
84 S A -1.1455
85 G A -1.4321
86 R A -2.0387
87 R A 0.0000
88 M A 0.0000
89 E A -1.3828
90 L A -0.0372
91 S A 0.3203
92 M A 0.7997
93 G A -0.0961
94 P A -0.2296
95 I A -0.3605
96 Q A -1.2801
97 A A -0.9241
98 N A -1.5682
99 H A -1.2439
100 T A -0.7330
101 G A -0.6410
102 T A -0.5478
103 G A -0.6944
104 L A 0.0000
105 L A -0.0820
106 L A 0.0000
107 T A 0.2930
108 L A 0.0000
109 Q A -1.1351
110 P A -1.5888
111 E A -2.5318
112 Q A -2.0534
113 K A -2.1415
114 F A -0.6698
115 Q A -1.0406
116 K A -2.1166
117 V A 0.0000
118 K A -0.8882
119 G A 0.0000
120 F A 0.0000
121 G A 0.0000
122 G A 0.0000
123 A A 0.0000
124 M A 0.0000
125 T A 0.0000
126 D A 0.0000
127 A A 0.0000
128 A A 0.0000
129 A A 0.0000
130 L A 0.7447
131 N A 0.0000
132 I A 0.0000
133 L A 0.5451
134 A A 0.5223
135 L A 0.0000
136 S A -0.2631
137 P A -0.4676
138 P A -0.5971
139 A A 0.0000
140 Q A 0.0000
141 N A -0.9162
142 L A -0.5244
143 L A 0.0000
144 L A 0.0000
145 K A -1.3274
146 S A 0.0000
147 Y A 0.0000
148 F A 0.0000
149 S A 0.0000
150 E A -1.6105
151 E A -2.3000
152 G A 0.0000
153 I A 0.0000
154 G A 0.0000
155 Y A 0.0000
156 N A 0.0000
157 I A 0.0000
158 I A 0.0000
159 R A 0.0000
160 V A 0.0000
161 P A 0.0000
162 M A 0.0000
163 A A 0.0000
164 S A 0.0000
165 C A 0.0000
166 D A 0.0000
167 F A 0.0000
168 S A 0.0000
169 I A 0.9409
170 R A -0.3541
171 T A -0.1980
172 Y A 0.0000
173 T A 0.0000
174 Y A 0.0000
175 A A 0.0000
176 D A -2.1904
177 T A -1.7727
178 P A -1.7244
179 D A -2.2681
180 D A -2.0913
181 F A -0.9271
182 Q A -1.7321
183 L A 0.0000
184 H A -1.9343
185 N A -2.1763
186 F A -1.3449
187 S A -0.9608
188 L A -0.6521
189 P A -1.0988
190 E A -2.3850
191 E A 0.0000
192 D A 0.0000
193 T A -1.5178
194 K A -2.2245
195 L A -0.8799
196 K A 0.0000
197 I A 0.0000
198 P A -0.7226
199 L A 0.0000
200 I A 0.0000
201 H A -0.8574
202 R A -0.9229
203 A A 0.0000
204 L A -0.4088
205 Q A -1.3165
206 L A -0.9688
207 A A -1.0537
208 Q A -1.4154
209 R A -1.0135
210 P A -0.6767
211 V A -0.3238
212 S A -0.1156
213 L A 0.0000
214 L A 0.0000
215 A A 0.0000
216 S A 0.0000
217 P A 0.0000
218 W A 0.0000
219 T A 0.0000
220 S A 0.0000
221 P A 0.0000
222 T A -0.9810
223 W A 0.0000
224 L A 0.0000
225 K A 0.0000
226 T A -1.3069
227 N A -1.9526
228 G A -1.1546
229 A A -0.8093
230 V A -0.3562
231 N A -0.7606
232 G A -0.9854
233 K A -1.4317
234 G A 0.0000
235 S A -0.7850
236 L A 0.0000
237 K A -1.0389
238 G A -1.1230
239 Q A -1.6786
240 P A -1.2487
241 G A -1.0659
242 D A -0.4627
243 I A 1.1733
244 Y A 0.1980
245 H A 0.0000
246 Q A -0.2627
247 T A 0.0000
248 W A 0.0000
249 A A 0.0000
250 R A -0.9727
251 Y A 0.0000
252 F A 0.0000
253 V A -0.8096
254 K A -0.9381
255 F A 0.0000
256 L A 0.0000
257 D A -1.6437
258 A A -1.3493
259 Y A 0.0000
260 A A -2.3010
261 E A -2.8526
262 H A -2.3837
263 K A -2.8670
264 L A 0.0000
265 Q A -1.8772
266 F A 0.0000
267 W A -0.5358
268 A A 0.0000
269 V A 0.0000
270 T A 0.0000
271 A A 0.0000
272 E A 0.0000
273 N A 0.0000
274 E A -0.1744
275 P A 0.0000
276 S A 0.1766
277 A A 0.0000
278 G A 0.0000
279 L A 0.4919
280 L A 0.7804
281 S A -0.3110
282 G A -0.5903
283 Y A -0.1762
284 P A -0.4712
285 F A -0.1386
286 Q A 0.0000
287 C A 0.0000
288 L A 0.0000
289 G A 0.0000
290 F A 0.0000
291 T A -0.4043
292 P A -0.8952
293 E A -1.2950
294 H A -1.0135
295 Q A 0.0000
296 R A -1.3324
297 D A -1.5422
298 F A 0.0000
299 I A 0.0000
300 A A -1.6204
301 R A -1.7023
302 D A 0.0000
303 L A 0.0000
304 G A 0.0000
305 P A -0.9184
306 T A -0.9142
307 L A 0.0000
308 A A -1.2227
309 N A -1.5275
310 S A -1.3331
311 T A -0.9482
312 H A -1.5095
313 H A -2.0540
314 N A -1.9610
315 V A 0.0000
316 R A -1.3856
317 L A 0.0000
318 L A 0.0000
319 M A 0.0000
320 L A 0.0000
321 D A 0.0000
322 D A 0.0000
323 Q A 0.2499
324 R A 0.0000
325 L A 1.2731
326 L A 0.2987
327 L A 0.0000
328 P A -0.8026
329 H A -1.1230
330 W A 0.0000
331 A A 0.0000
332 K A -1.2120
333 V A -0.9501
334 V A 0.0000
335 L A 0.0000
336 T A -0.7781
337 D A -1.6688
338 P A -1.8274
339 E A -2.7462
340 A A 0.0000
341 A A -1.6111
342 K A -2.3207
343 Y A -1.3173
344 V A 0.0000
345 H A -1.1537
346 G A 0.0000
347 I A 0.0000
348 A A 0.0000
349 V A 0.0000
350 H A 0.0000
351 W A 0.6607
352 Y A 0.8687
353 L A 1.6571
354 D A 1.5654
355 F A 2.7962
356 L A 2.6520
357 A A 1.1632
358 P A -0.0118
359 A A 0.0000
360 K A -1.9489
361 A A -0.9178
362 T A 0.0000
363 L A 0.0000
364 G A -1.4001
365 E A -1.5285
366 T A 0.0000
367 H A -1.5139
368 R A -2.2883
369 L A -0.9590
370 F A -0.8686
371 P A -1.3402
372 N A -1.5581
373 T A 0.0000
374 M A -0.5484
375 L A 0.0000
376 F A 0.0000
377 A A 0.0000
378 S A 0.0000
379 E A 0.0000
380 A A 0.0000
381 C A 0.0000
382 V A 0.0000
383 G A 0.0000
384 S A -0.1391
385 K A 0.0662
386 F A 1.7082
387 W A 1.3580
388 E A -0.2434
389 Q A -1.3463
390 S A -0.9869
391 V A 0.0000
392 R A -1.2050
393 L A -0.1007
394 G A 0.0000
395 S A 0.0000
396 W A 0.0000
397 D A -1.8160
398 R A 0.0000
399 G A 0.0000
400 M A 0.0000
401 Q A -1.0533
402 Y A 0.0000
403 S A 0.0000
404 H A -0.6791
405 S A 0.0000
406 I A 0.0000
407 I A 0.0000
408 T A -0.0263
409 N A 0.0000
410 L A 0.0000
411 L A 0.6601
412 Y A 0.2341
413 H A -0.1311
414 V A 0.0000
415 V A -0.4180
416 G A 0.0000
417 W A 0.0000
418 T A 0.0000
419 D A 0.0000
420 W A 0.0000
421 N A 0.0000
422 L A 0.0000
423 A A 0.0000
424 L A 0.0000
425 N A -0.5660
426 P A -1.0489
427 E A -2.3366
428 G A 0.0000
429 G A 0.0000
430 P A -0.2617
431 N A 0.0000
432 W A 0.0881
433 V A -0.3948
434 R A -1.9142
435 N A -0.9273
436 F A -0.8581
437 V A 0.0000
438 D A 0.0000
439 S A 0.0000
440 P A 0.0000
441 I A 0.0000
442 I A 0.0000
443 V A 0.0000
444 D A -0.3976
445 I A 0.3510
446 T A -0.5109
447 K A -1.7265
448 D A -1.1381
449 T A 0.0000
450 F A 0.0000
451 Y A 0.0000
452 K A 0.0000
453 Q A 0.0000
454 P A 0.0000
455 M A 0.0000
456 F A 0.0000
457 Y A 0.0000
458 H A 0.0000
459 L A 0.0000
460 G A 0.0000
461 H A 0.0000
462 F A 0.0000
463 S A 0.0000
464 K A 0.0000
465 F A 0.0000
466 I A 0.0000
467 P A -0.5976
468 E A -1.2773
469 G A -1.4010
470 S A 0.0000
471 Q A -1.4224
472 R A -0.8439
473 V A 0.0000
474 G A -0.3878
475 L A 0.6323
476 V A 1.1908
477 A A 0.0444
478 S A -0.6028
479 Q A -1.6576
480 K A -2.6028
481 N A -2.1146
482 D A -2.5680
483 L A -1.3068
484 D A -0.7511
485 A A -0.0151
486 V A 0.0000
487 A A 0.0000
488 L A 0.0000
489 M A -0.8759
490 H A -1.2208
491 P A -1.5641
492 D A -2.1494
493 G A -1.5318
494 S A 0.0000
495 A A 0.0000
496 V A 0.0000
497 V A 0.0000
498 V A 0.0000
499 V A 0.0000
500 L A 0.0000
501 N A 0.0000
502 R A -1.7674
503 S A -1.7158
504 S A -1.5835
505 K A -2.9920
506 D A -2.4920
507 V A -1.3789
508 P A -0.6708
509 L A 0.0000
510 T A 0.0000
511 I A 0.0000
512 K A -0.5290
513 D A 0.0000
514 P A -0.3350
515 A A -0.3745
516 V A -0.1620
517 G A -0.6458
518 F A -0.7105
519 L A 0.0000
520 E A -1.0339
521 T A -0.1843
522 I A 0.0518
523 S A 0.0000
524 P A -1.2772
525 G A -1.7241
526 Y A -1.2511
527 S A 0.0000
528 I A 0.0000
529 H A 0.0000
530 T A 0.0000
531 Y A 0.0000
532 L A 0.0000
533 W A 0.0000
534 R A -1.2286
535 R A -1.2201
536 Q A -1.2960
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Laboratory of Theory of Biopolymers 2018