Project name: e868b0d5aaf39b4

Status: done

Started: 2025-02-21 07:03:58
Chain sequence(s) A: MDLSVENGGLAPGFRFHPTDEELVVYYLKRKIRRKKLRVEAIGETDVYKFDPEELPEKALYKTRDRQWFFFSLRDRKHGSRSSRATERGYWKATGKDRVIHCDSRPVGEKKTLVFHRGRAPNGERTNWVMHEYTLHKEELKRCGGEDVKDAYVLYKIYKKSGSGPKNGEQYGAPFIEEEWAEDDDDDVDEPANQLVVSASVDNSLWGKGLNQSELDDNDIEELMSQVRDQSGPTLQQNGVSGLNSHVDTYNLENLEEDMYLEINDLMEPEPEPTSVEVMENNWNEDGSGLLNDDDFVGADSYFLDLGVTNPQLDFVSGDLKNGFAQSLQVNTSLMTYQANNNQFQQQSGKNQASNWPLRNSYTRQINNGSSWVQELNNDGLTVTRFGEAPGTGDSSEFLNPVPSGISTTNEDDPSKDESSKFASSVWTFLESIPAKPAYASENPFVKLNLVRMSTSGGRFRFTSKSTGNNVVVMDSDSAVKRNKSGGNNDKKKKKNKGFFCLSIIGALCALFWVIIGTMGGSGRPLLW
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
pH calculations No
alphaCutter usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-4.8412
Maximal score value
5.2944
Average score
-0.7909
Total score value
-417.6181

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.0146
2 D A -0.9802
3 L A -0.9547
4 S A -0.7558
5 V A 0.1426
6 E A -1.4030
7 N A -1.1189
8 G A -0.8543
9 G A -0.4220
10 L A 0.4735
11 A A 0.6134
12 P A 0.4132
13 G A 0.6944
14 F A 1.4223
15 R A -0.1472
16 F A -0.1151
17 H A -0.9795
18 P A -1.0989
19 T A -1.1345
20 D A -1.3692
21 E A -1.6433
22 E A -1.5664
23 L A 0.0000
24 V A 0.0000
25 V A -0.3960
26 Y A -0.3948
27 Y A -0.9484
28 L A 0.0000
29 K A -1.2325
30 R A -2.4197
31 K A -2.2838
32 I A 0.0000
33 R A -3.3612
34 R A -3.7489
35 K A -3.8257
36 K A -3.5602
37 L A -2.4200
38 R A -2.2768
39 V A -1.1406
40 E A -1.6683
41 A A 0.0000
42 I A 0.0000
43 G A -1.1039
44 E A -1.7649
45 T A -1.3210
46 D A -1.4926
47 V A 0.0000
48 Y A -1.0685
49 K A -2.0972
50 F A -1.6062
51 D A 0.0000
52 P A 0.0000
53 E A -1.9043
54 E A -2.3288
55 L A 0.0000
56 P A -2.2996
57 E A -2.9255
58 K A -2.4345
59 A A 0.0000
60 L A -0.8469
61 Y A -1.4110
62 K A -2.3002
63 T A -1.9948
64 R A -2.4027
65 D A 0.0000
66 R A -2.1599
67 Q A 0.0000
68 W A -0.9263
69 F A 0.0000
70 F A 0.0000
71 F A 0.0000
72 S A -0.6568
73 L A -0.5227
74 R A -2.7010
75 D A -3.9204
76 R A -4.0646
77 K A -3.9524
78 H A -3.7349
79 G A -2.6731
80 S A -2.1334
81 R A -2.8260
82 S A -2.5931
83 S A -1.3736
84 R A -1.2643
85 A A -1.5961
86 T A -2.1149
87 E A -3.1730
88 R A -3.2042
89 G A 0.0000
90 Y A -2.0038
91 W A 0.0000
92 K A -1.9920
93 A A -1.4030
94 T A -1.2657
95 G A -1.8720
96 K A -2.8847
97 D A -3.0024
98 R A -2.6729
99 V A -0.7875
100 I A 0.0000
101 H A -1.7622
102 C A -1.7886
103 D A -2.2846
104 S A -1.6570
105 R A -1.6695
106 P A -1.3820
107 V A 0.0000
108 G A 0.0000
109 E A -1.6573
110 K A 0.0000
111 K A -1.7325
112 T A -1.4121
113 L A 0.0000
114 V A 0.0000
115 F A 0.0000
116 H A -2.9757
117 R A -3.1048
118 G A -3.2201
119 R A -3.2881
120 A A -2.0141
121 P A -1.7909
122 N A -2.7289
123 G A -3.4016
124 E A -3.5975
125 R A -3.4064
126 T A -1.9190
127 N A -1.2804
128 W A 0.0000
129 V A 0.0000
130 M A 0.0000
131 H A -0.4927
132 E A -0.6576
133 Y A 0.0000
134 T A -0.6582
135 L A 0.0000
136 H A -1.7362
137 K A -3.3673
138 E A -3.4136
139 E A 0.0000
140 L A -3.1042
141 K A -4.3053
142 R A -3.6243
143 C A -2.6983
144 G A -2.6046
145 G A -3.5018
146 E A -4.0753
147 D A -3.5344
148 V A -2.6808
149 K A -3.1653
150 D A -1.9978
151 A A 0.0000
152 Y A -0.6987
153 V A 0.0000
154 L A 0.0000
155 Y A 0.0000
156 K A -0.2699
157 I A 0.0000
158 Y A -0.9850
159 K A -1.6113
160 K A -1.5530
161 S A -1.1716
162 G A -0.8668
163 S A -1.0473
164 G A -1.0925
165 P A -1.4352
166 K A -2.3755
167 N A -2.3662
168 G A -1.8355
169 E A -1.8583
170 Q A -1.9336
171 Y A -1.5615
172 G A -1.1884
173 A A -0.7952
174 P A 0.2045
175 F A 1.1122
176 I A -0.0250
177 E A -2.0249
178 E A -2.9529
179 E A -2.2180
180 W A -1.5048
181 A A -2.6321
182 E A -3.7400
183 D A -4.5916
184 D A -4.8412
185 D A -4.6544
186 D A -4.0116
187 D A -3.3753
188 V A -1.4284
189 D A -2.6806
190 E A -2.6611
191 P A -1.8866
192 A A -1.5818
193 N A -1.5294
194 Q A -0.4188
195 L A 1.9062
196 V A 2.8863
197 V A 2.8057
198 S A 1.4184
199 A A 0.8229
200 S A 0.0186
201 V A 0.4590
202 D A -1.4357
203 N A -1.2004
204 S A -0.4234
205 L A 0.9134
206 W A 0.8019
207 G A -0.4678
208 K A -1.2722
209 G A -0.9115
210 L A -0.3092
211 N A -1.7133
212 Q A -1.7756
213 S A -1.6366
214 E A -2.1678
215 L A -1.0152
216 D A -3.0039
217 D A -3.4109
218 N A -3.0686
219 D A -2.0379
220 I A -0.1997
221 E A -2.3888
222 E A -1.9761
223 L A 0.5997
224 M A 0.3198
225 S A -1.1622
226 Q A -1.6380
227 V A -0.1277
228 R A -2.2142
229 D A -3.1074
230 Q A -2.6161
231 S A -1.6595
232 G A -1.0551
233 P A -0.3340
234 T A 0.0151
235 L A 0.5777
236 Q A -1.3251
237 Q A -2.2037
238 N A -1.9952
239 G A -0.5595
240 V A 1.0853
241 S A 0.4888
242 G A 0.3058
243 L A 0.6041
244 N A -0.7733
245 S A -0.6329
246 H A -0.8994
247 V A 0.3024
248 D A -0.9612
249 T A -0.0419
250 Y A 0.5796
251 N A -0.7107
252 L A 0.2759
253 E A -1.7525
254 N A -2.2695
255 L A -0.8012
256 E A -2.7500
257 E A -2.8840
258 D A -1.9498
259 M A 0.4162
260 Y A 1.4857
261 L A 1.4532
262 E A -0.4288
263 I A 1.1557
264 N A -0.9805
265 D A -1.2870
266 L A 0.7692
267 M A 0.1045
268 E A -1.9956
269 P A -1.8323
270 E A -2.8263
271 P A -2.3144
272 E A -2.5263
273 P A -1.2808
274 T A -0.3395
275 S A 0.1339
276 V A 1.1000
277 E A 0.0830
278 V A 1.3188
279 M A 0.4245
280 E A -1.7730
281 N A -2.4562
282 N A -2.0923
283 W A -0.8075
284 N A -2.4057
285 E A -3.3065
286 D A -3.2700
287 G A -1.9336
288 S A -0.5302
289 G A 0.1498
290 L A 1.5559
291 L A 0.9215
292 N A -1.8070
293 D A -2.9955
294 D A -3.0657
295 D A -1.9535
296 F A 1.1544
297 V A 1.5661
298 G A 0.2308
299 A A -0.1213
300 D A -0.7578
301 S A 0.6001
302 Y A 1.8267
303 F A 2.6494
304 L A 1.9180
305 D A 0.4866
306 L A 1.4518
307 G A 0.8115
308 V A 1.3854
309 T A 0.1448
310 N A -1.3467
311 P A -1.1473
312 Q A -1.0601
313 L A 0.4969
314 D A 0.0211
315 F A 2.0852
316 V A 2.0950
317 S A 0.5604
318 G A -0.4548
319 D A -1.6947
320 L A -0.5572
321 K A -2.0834
322 N A -1.6156
323 G A -0.4580
324 F A 1.2211
325 A A 0.2689
326 Q A -0.5531
327 S A -0.1071
328 L A 0.9441
329 Q A 0.0615
330 V A 0.9116
331 N A -0.4440
332 T A 0.0592
333 S A 0.6000
334 L A 1.9588
335 M A 1.9316
336 T A 1.1954
337 Y A 1.0416
338 Q A -0.8802
339 A A -1.2316
340 N A -2.4851
341 N A -2.7571
342 N A -2.4784
343 Q A -1.7669
344 F A -0.0750
345 Q A -1.5660
346 Q A -2.2065
347 Q A -2.0781
348 S A -1.9455
349 G A -2.1881
350 K A -2.8858
351 N A -2.8389
352 Q A -2.4680
353 A A -1.3325
354 S A -1.0029
355 N A -0.8258
356 W A 0.5851
357 P A 0.0580
358 L A 0.3588
359 R A -1.5531
360 N A -1.5977
361 S A -0.7985
362 Y A 0.0438
363 T A -0.6345
364 R A -1.8168
365 Q A -1.4643
366 I A 0.0749
367 N A -1.5753
368 N A -1.8528
369 G A -1.5678
370 S A -0.6991
371 S A 0.4896
372 W A 1.6264
373 V A 1.2830
374 Q A -0.5744
375 E A -1.6444
376 L A -0.7968
377 N A -2.0088
378 N A -2.6841
379 D A -2.4408
380 G A -0.8778
381 L A 1.2742
382 T A 1.4984
383 V A 1.6605
384 T A 0.2415
385 R A -0.7764
386 F A 0.2926
387 G A -0.7504
388 E A -1.8531
389 A A -1.2655
390 P A -0.8448
391 G A -0.7034
392 T A -0.9763
393 G A -1.5787
394 D A -2.1970
395 S A -1.6608
396 S A -1.1685
397 E A -0.6074
398 F A 1.4284
399 L A 1.5741
400 N A 0.1454
401 P A 0.4976
402 V A 1.3376
403 P A 0.4176
404 S A 0.2569
405 G A 0.4478
406 I A 1.5699
407 S A 0.5834
408 T A -0.0567
409 T A -1.1603
410 N A -2.6863
411 E A -3.7309
412 D A -3.8413
413 D A -3.1753
414 P A -2.1386
415 S A -2.2187
416 K A -3.2430
417 D A -3.9619
418 E A -3.3960
419 S A -1.9852
420 S A -1.7714
421 K A -1.5987
422 F A 1.1414
423 A A 0.8285
424 S A 0.8721
425 S A 1.7582
426 V A 3.1674
427 W A 2.7165
428 T A 1.7894
429 F A 3.1600
430 L A 2.6186
431 E A 0.3514
432 S A 1.0895
433 I A 1.4606
434 P A -0.1501
435 A A -0.6111
436 K A -1.4440
437 P A -0.6738
438 A A 0.1106
439 Y A 0.7313
440 A A -0.0391
441 S A -1.0800
442 E A -2.1851
443 N A -1.4748
444 P A -0.2171
445 F A 1.6880
446 V A 1.8409
447 K A 0.1033
448 L A 1.0349
449 N A 0.3514
450 L A 1.7459
451 V A 1.6800
452 R A -0.2628
453 M A 0.5512
454 S A -0.2019
455 T A -0.2946
456 S A -0.7420
457 G A -1.2852
458 G A -1.1905
459 R A -1.5416
460 F A 0.3306
461 R A -0.3835
462 F A 1.1601
463 T A -0.1384
464 S A -0.8553
465 K A -1.7927
466 S A -1.3789
467 T A -1.0882
468 G A -1.6708
469 N A -1.7522
470 N A -0.7167
471 V A 2.1109
472 V A 3.4157
473 V A 3.2089
474 M A 1.3746
475 D A -1.4183
476 S A -1.7443
477 D A -2.3726
478 S A -0.7678
479 A A 0.0463
480 V A 0.5529
481 K A -2.0255
482 R A -3.3363
483 N A -3.5308
484 K A -2.9350
485 S A -1.6462
486 G A -1.5712
487 G A -1.8589
488 N A -2.8323
489 N A -3.5614
490 D A -4.2421
491 K A -4.4744
492 K A -4.6508
493 K A -4.5696
494 K A -4.5746
495 K A -4.3459
496 N A -3.4404
497 K A -2.4467
498 G A 0.1822
499 F A 2.9249
500 F A 3.9254
501 C A 3.7658
502 L A 4.2229
503 S A 3.3424
504 I A 4.6615
505 I A 4.6261
506 G A 2.6354
507 A A 3.0154
508 L A 4.5919
509 C A 4.0445
510 A A 3.4956
511 L A 4.9458
512 F A 5.2944
513 W A 4.7725
514 V A 4.8430
515 I A 4.5093
516 I A 3.6800
517 G A 2.1113
518 T A 1.6959
519 M A 1.6737
520 G A 0.0408
521 G A -0.7711
522 S A -1.1490
523 G A -1.5611
524 R A -1.7321
525 P A 0.0290
526 L A 1.9177
527 L A 2.6048
528 W A 2.2809
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