Project name: 97c308b8e474701

Status: done

Started: 2025-02-21 06:29:46
Chain sequence(s) A: MTRCLMFTLLFLVSSLISTVGLPVEPPAELLQLGGGDVGGGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSARGFRVSARGHGHSISGQAQAAGGVVVDMSRGRGPGAAVARALPVHSAALGGHYVDVWGGELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQISNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERAPKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEGLINNWRSSFFSPQNPVKLTSLKHHSSVLYCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVHKAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGRTAGAGGPVLIYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRILDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILAAGQGIFRPPGSPALAADS
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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-3.3978
Maximal score value
5.5415
Average score
-0.513
Total score value
-277.5246

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 1.1438
2 T A 0.7131
3 R A 0.0090
4 C A 2.0014
5 L A 3.2221
6 M A 3.7997
7 F A 4.6352
8 T A 4.2003
9 L A 5.3271
10 L A 5.5415
11 F A 5.4390
12 L A 5.3237
13 V A 5.1722
14 S A 3.5086
15 S A 3.3395
16 L A 4.3924
17 I A 4.1165
18 S A 2.1133
19 T A 1.9346
20 V A 2.7391
21 G A 1.8401
22 L A 2.4340
23 P A 0.8509
24 V A 1.0593
25 E A -0.6124
26 P A -0.2447
27 P A -0.3136
28 A A -0.4382
29 E A -0.8620
30 L A 0.0000
31 L A 0.2175
32 Q A -0.8976
33 L A -0.6759
34 G A -0.7603
35 G A -1.3198
36 G A -2.1112
37 D A -2.7422
38 V A -1.6858
39 G A -1.5502
40 G A 0.0000
41 G A 0.0000
42 R A -2.6770
43 L A -1.0050
44 S A 0.0000
45 V A 0.7466
46 D A -0.9461
47 A A -0.6949
48 S A -1.0430
49 D A -1.1216
50 I A -1.0828
51 A A -2.0509
52 E A -2.6460
53 A A 0.0000
54 S A 0.0000
55 R A -3.1199
56 D A -1.8511
57 F A -0.6652
58 G A 0.0000
59 G A -0.8033
60 V A 0.4498
61 A A -0.7606
62 R A -2.5534
63 A A -2.0122
64 E A -2.3764
65 P A 0.0000
66 M A -0.0970
67 A A 0.0000
68 V A 0.0000
69 F A 0.0000
70 H A -1.7456
71 P A 0.0000
72 R A -2.3989
73 A A -0.8828
74 A A -0.5976
75 G A -0.8284
76 D A 0.0000
77 V A 0.0000
78 A A -0.5307
79 G A -0.4852
80 L A 0.0000
81 V A 0.0000
82 G A 0.0000
83 A A -0.6591
84 A A 0.0000
85 F A -1.0920
86 R A -2.1240
87 S A 0.0000
88 A A -1.3323
89 R A -2.3116
90 G A -1.6073
91 F A 0.0000
92 R A -0.9478
93 V A 0.0000
94 S A 0.0000
95 A A -0.3027
96 R A -0.5680
97 G A -0.5592
98 H A -0.5630
99 G A 0.0000
100 H A -0.5679
101 S A -0.5431
102 I A 0.0000
103 S A -0.3873
104 G A 0.0000
105 Q A -0.3343
106 A A -0.6146
107 Q A 0.0000
108 A A 0.0000
109 A A -1.0265
110 G A -0.5461
111 G A 0.0000
112 V A 0.0000
113 V A 0.0000
114 V A 0.0000
115 D A -0.6778
116 M A 0.0000
117 S A -0.8737
118 R A -1.5265
119 G A -2.2070
120 R A -2.6195
121 G A -1.8381
122 P A -1.1014
123 G A -0.9497
124 A A -0.9341
125 A A -0.1238
126 V A 0.9331
127 A A 0.7875
128 R A 0.3825
129 A A 0.8100
130 L A 1.3504
131 P A 0.5870
132 V A 0.7089
133 H A -0.4665
134 S A -0.2202
135 A A -0.1040
136 A A 0.0968
137 L A 0.2751
138 G A -0.3697
139 G A -0.6314
140 H A -0.8450
141 Y A 0.0946
142 V A 0.0000
143 D A -0.1514
144 V A 0.0000
145 W A -0.0269
146 G A 0.0000
147 G A 0.0000
148 E A 0.0000
149 L A -0.0312
150 W A 0.0000
151 V A 0.0000
152 D A -0.6787
153 V A 0.0000
154 L A 0.0000
155 N A -1.0187
156 W A -0.4459
157 T A 0.0000
158 L A -0.7356
159 S A -0.5943
160 H A -0.6523
161 G A -0.7977
162 G A -1.4469
163 L A 0.0000
164 A A 0.0000
165 P A 0.0000
166 R A -0.8492
167 S A 0.0000
168 W A 0.0000
169 T A 0.0000
170 D A -0.1360
171 Y A 0.1311
172 L A 0.0000
173 Y A 0.2462
174 L A 0.1249
175 S A 0.0000
176 V A 0.0000
177 G A -0.2277
178 G A -0.4264
179 T A 0.0000
180 L A 0.0000
181 S A -0.2328
182 N A -0.2331
183 A A 0.0000
184 G A 0.0000
185 I A 0.0000
186 S A 0.0000
187 G A 0.0000
188 Q A 0.0000
189 A A 0.0000
190 F A 0.0000
191 H A -0.6483
192 H A -0.5527
193 G A 0.0000
194 P A 0.0000
195 Q A 0.0000
196 I A 0.0000
197 S A -0.2713
198 N A 0.0000
199 V A 0.0000
200 Y A -0.2130
201 E A -0.9350
202 L A 0.0000
203 D A -0.0647
204 V A 0.0000
205 V A 0.0000
206 T A 0.0000
207 G A 0.0000
208 K A -1.3310
209 G A -0.9962
210 E A -1.1594
211 V A 0.4660
212 V A 0.1118
213 T A -0.4314
214 C A 0.0000
215 S A -2.0404
216 E A -2.6772
217 T A -2.0993
218 E A -2.8050
219 N A -2.5405
220 P A -2.7313
221 D A -2.9359
222 L A 0.0000
223 F A 0.0000
224 F A 0.0000
225 G A 0.0000
226 V A 0.0000
227 L A 0.0000
228 G A 0.0000
229 G A 0.0000
230 L A 0.0000
231 G A -0.2275
232 Q A 0.0000
233 F A 0.0000
234 G A 0.0000
235 I A 0.0000
236 I A 0.0000
237 T A 0.0000
238 R A -0.5051
239 A A 0.0000
240 R A -0.4977
241 I A 0.0000
242 A A 0.0000
243 L A 0.0000
244 E A -1.6256
245 R A -2.4837
246 A A -1.6776
247 P A -1.9082
248 K A -2.6594
249 R A -2.0937
250 V A 0.0000
251 R A 0.0000
252 W A 0.0000
253 I A 0.0000
254 R A 0.0000
255 A A 0.0000
256 L A 0.0000
257 Y A 0.0000
258 S A -0.8354
259 N A -1.1799
260 F A 0.0000
261 S A -0.7975
262 E A -1.4353
263 F A 0.0000
264 T A 0.0000
265 A A -0.9426
266 D A 0.0000
267 Q A 0.0000
268 E A -1.1436
269 R A -1.4988
270 L A 0.0000
271 I A 0.0000
272 S A -0.7275
273 L A -0.8903
274 G A -1.0361
275 S A -1.1786
276 G A -1.3358
277 G A -1.5924
278 G A -1.8660
279 R A -2.6978
280 R A -1.6292
281 F A 0.0000
282 D A -0.7911
283 Y A 0.0000
284 V A 0.0000
285 E A 0.0000
286 G A 0.0000
287 F A 0.0000
288 V A 0.0000
289 V A 0.0000
290 A A 0.0000
291 A A -1.1185
292 E A -1.9439
293 G A -1.0505
294 L A 0.0000
295 I A 0.8993
296 N A -0.7894
297 N A -0.5684
298 W A -0.0982
299 R A 0.0000
300 S A 0.3544
301 S A 0.2568
302 F A 0.3873
303 F A 0.2653
304 S A -0.5163
305 P A -1.1839
306 Q A -1.8799
307 N A -2.0501
308 P A -1.4676
309 V A -0.9387
310 K A -1.7456
311 L A -0.4857
312 T A -1.0000
313 S A -1.2708
314 L A 0.0000
315 K A -2.4094
316 H A -2.0426
317 H A -1.6656
318 S A -1.0849
319 S A -1.5053
320 V A 0.0000
321 L A 0.0000
322 Y A 0.0000
323 C A 0.0000
324 L A 0.0000
325 E A 0.0000
326 V A 0.0000
327 T A 0.0000
328 K A -1.1023
329 N A -1.1287
330 Y A 0.0000
331 D A -2.6259
332 D A -3.2678
333 E A -2.8979
334 T A -1.9861
335 A A -1.8977
336 G A -1.7779
337 S A -1.5847
338 V A 0.0000
339 D A -3.0794
340 Q A -3.1195
341 D A -2.7151
342 V A 0.0000
343 D A -3.0937
344 T A -2.3077
345 L A 0.0000
346 L A 0.0000
347 G A -1.7759
348 E A -2.0816
349 L A -1.4016
350 N A -1.7026
351 F A -0.6853
352 L A -0.2018
353 P A -0.4009
354 G A -0.5265
355 T A 0.0000
356 V A 0.5490
357 F A 0.3589
358 T A 0.0589
359 T A -0.2871
360 D A -0.9789
361 L A -0.8198
362 P A -1.0469
363 Y A 0.0000
364 V A -0.2789
365 D A -0.6769
366 F A 0.0000
367 L A 0.0000
368 D A -0.5109
369 R A 0.0000
370 V A -0.3608
371 H A -0.5814
372 K A -1.2848
373 A A 0.0000
374 E A 0.0000
375 L A -0.3347
376 K A -1.8461
377 L A -1.5131
378 R A -1.9136
379 A A -1.4361
380 K A -2.4039
381 G A -1.8566
382 M A -1.0747
383 W A 0.0000
384 E A -2.1812
385 V A 0.0000
386 P A -0.0112
387 H A 0.0000
388 P A 0.0000
389 W A 0.3818
390 L A 0.0000
391 N A 0.0000
392 L A 0.0000
393 F A 0.0000
394 V A 0.0000
395 P A 0.0000
396 A A -0.8163
397 S A -0.7278
398 R A -0.7876
399 I A 0.0000
400 A A -0.8768
401 D A -1.2557
402 F A 0.0000
403 D A 0.0000
404 R A -2.4021
405 G A -1.3560
406 V A 0.0000
407 F A 0.0000
408 R A -1.9994
409 G A -1.4825
410 V A -1.1222
411 L A 0.0000
412 G A -1.6326
413 G A 0.0000
414 R A -2.4669
415 T A 0.0000
416 A A -1.3787
417 G A -0.9534
418 A A 0.0000
419 G A -0.2515
420 G A -0.1460
421 P A 0.0000
422 V A 0.0000
423 L A 0.0000
424 I A 0.0000
425 Y A 0.0000
426 P A 0.0000
427 M A 0.0000
428 N A 0.0000
429 K A -1.9992
430 H A -1.8938
431 K A -1.4298
432 W A 0.0000
433 D A -1.2547
434 P A -1.3025
435 R A -1.8381
436 S A 0.0000
437 S A 0.0000
438 A A -0.3382
439 V A 0.0000
440 T A 0.0000
441 P A 0.0000
442 D A -2.4880
443 E A -2.3330
444 E A -2.7024
445 V A -1.3593
446 F A 0.0000
447 Y A 0.0000
448 L A 0.0000
449 V A 0.0000
450 A A 0.0000
451 F A 0.0000
452 L A 0.1963
453 R A 0.0000
454 S A -0.1139
455 A A -0.4425
456 L A -0.1066
457 P A -0.3293
458 G A -0.6107
459 A A -0.4333
460 P A -0.6098
461 E A -0.9352
462 S A -1.0766
463 L A -0.7842
464 E A -2.1489
465 A A -1.7670
466 L A 0.0000
467 A A -1.9149
468 R A -3.2314
469 Q A -2.4654
470 N A -2.1206
471 Q A -3.0125
472 R A -3.2723
473 I A 0.0000
474 L A -1.6573
475 D A -2.5001
476 F A -1.2428
477 C A 0.0000
478 A A -0.9997
479 G A -0.9002
480 T A -0.7933
481 G A -0.9225
482 I A 0.0000
483 G A -0.9986
484 A A -0.6365
485 K A -0.5977
486 Q A -0.2032
487 Y A 0.0583
488 L A 0.1554
489 P A 0.0000
490 G A -0.8690
491 H A -1.7507
492 K A -2.5498
493 A A 0.0000
494 R A -3.3978
495 H A -3.0938
496 E A -2.7556
497 W A 0.0000
498 A A -2.2175
499 E A -2.6693
500 H A 0.0000
501 F A 0.0000
502 G A -1.2196
503 A A -0.9840
504 A A -0.8297
505 R A -1.7074
506 W A -1.6358
507 D A -2.4464
508 R A -2.2883
509 F A 0.0000
510 A A -1.7820
511 R A -2.7941
512 L A 0.0000
513 K A 0.0000
514 A A -1.3646
515 E A -2.0880
516 F A -1.3165
517 D A 0.0000
518 P A -0.8985
519 R A -1.1612
520 A A 0.0000
521 I A 0.0000
522 L A 0.0000
523 A A -0.2795
524 A A -0.3659
525 G A -0.4017
526 Q A 0.0000
527 G A -0.8653
528 I A 0.0000
529 F A -0.4877
530 R A -0.7981
531 P A 0.0000
532 P A -1.0792
533 G A -1.0949
534 S A -0.6394
535 P A -0.0988
536 A A 0.0829
537 L A 0.7922
538 A A 0.0633
539 A A -0.8834
540 D A -2.0187
541 S A -0.7952
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