Project name: SENP3

Status: done

Started: 2025-02-04 09:50:56
Settings
Chain sequence(s) A: MKETIQGTGSWGPEPPGPGIPPAYSSPRRERLRWPPPPKPRLKSGGGFGPDPGSGTTVPARRLPVPRPSFDASASEEEEEEEEEEDEDEEEEVAAWRLPPRWSQLGTSQRPRPSRPTHRKTCSQRRRRAMRAFRMLLYSKSTSLTFHWKLWGRHRGRRRGLAHPKNHLSPQQGGATPQVPSPCCRFDSPRGPPPPRLGLLGALMAEDGVRGSPPVPSGPPMEEDGLRWTPKSPLDPDSGLLSCTLPNGFGGQSGPEGERSLAPPDASILISNVCSIGDHVAQELFQGSDLGMAEEAERPGEKAGQHSPLREEHVTCVQSILDEFLQTYGSLIPLSTDEVVEKLEDIFQQEFSTPSRKGLVLQLIQSYQRMPGNAMVRGFRVAYKRHVLTMDDLGTLYGQNWLNDQVMNMYGDLVMDTVPEKVHFFNSFFYDKLRTKGYDGVKRWTKNVDIFNKELLLIPIHLEVHWSLISVDVRRRTITYFDSQRTLNRRCPKHIAKYLQAEAVKKDRLDFHQGWKGYFKMNVARQNNDSDCGAFVLQYCKHLALSQPFSFTQQDMPKLRRQIYKELCHCKLTV
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:35)
Show buried residues

Minimal score value
-5.0733
Maximal score value
2.2525
Average score
-0.9769
Total score value
-560.7488

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 -0.1744
2 K A -2.1439
3 E A -2.0338
4 T A -0.6406
5 I A 0.8719
6 Q A -0.4797
7 G A -0.7103
8 T A -0.8446
9 G A -0.4565
10 S A -0.0109
11 W A 0.7115
12 G A -0.5493
13 P A -1.1673
14 E A -2.2215
15 P A -1.4768
16 P A -1.0644
17 G A -0.8751
18 P A -0.3208
19 G A 0.1598
20 I A 1.5491
21 P A 0.6235
22 P A 0.4069
23 A A 0.6935
24 Y A 1.0570
25 S A -0.0170
26 S A -0.8069
27 P A -1.9022
28 R A -3.7427
29 R A -4.0097
30 E A -4.0419
31 R A -3.1006
32 L A -0.6980
33 R A -1.4020
34 W A 0.2527
35 P A -0.1835
36 P A -0.7367
37 P A -0.8510
38 P A -1.6229
39 K A -2.3151
40 P A -1.8524
41 R A -2.1770
42 L A -0.5760
43 K A -1.7724
44 S A -1.2573
45 G A -1.1610
46 G A -0.7522
47 G A 0.0394
48 F A 1.3319
49 G A -0.0702
50 P A -1.0042
51 D A -2.2233
52 P A -1.4931
53 G A -1.1377
54 S A -0.7496
55 G A -0.7228
56 T A -0.0198
57 T A 0.6342
58 V A 1.6109
59 P A 0.2378
60 A A -0.8894
61 R A -2.4548
62 R A -1.8540
63 L A 0.5473
64 P A 0.6545
65 V A 1.2300
66 P A -0.2487
67 R A -1.5332
68 P A -0.9141
69 S A -0.2384
70 F A 0.6941
71 D A -0.9478
72 A A -0.4406
73 S A -0.7327
74 A A -1.1425
75 S A -1.9056
76 E A -3.5933
77 E A -4.3846
78 E A -4.8832
79 E A -5.0434
80 E A -5.0733
81 E A -5.0234
82 E A -5.0178
83 E A -4.9555
84 E A -4.9099
85 E A -4.8677
86 D A -4.7711
87 E A -4.7976
88 D A -5.0383
89 E A -4.8560
90 E A -4.5460
91 E A -3.9426
92 E A -2.9080
93 V A 0.1826
94 A A -0.1550
95 A A 0.1046
96 W A -0.3740
97 R A -2.0517
98 L A -1.7202
99 P A -0.9952
100 P A -1.3638
101 R A -1.6208
102 W A 0.0518
103 S A -0.3865
104 Q A -0.5425
105 L A 0.8308
106 G A 0.0487
107 T A -0.5290
108 S A -1.1871
109 Q A -2.4733
110 R A -3.0304
111 P A -2.3827
112 R A -2.8977
113 P A -1.9092
114 S A -1.6848
115 R A -2.4249
116 P A -2.0622
117 T A -1.8896
118 H A -2.4931
119 R A -3.0962
120 K A -3.1762
121 T A -2.6390
122 C A -2.5437
123 S A -3.2651
124 Q A -3.9657
125 R A -4.1721
126 R A -4.0321
127 R A -3.9280
128 R A -3.5861
129 A A -1.9085
130 M A -0.8052
131 R A -1.0964
132 A A 0.0746
133 F A 1.7103
134 R A 0.7873
135 M A 1.0785
136 L A 1.9008
137 L A 1.1293
138 Y A 1.1537
139 S A 0.1334
140 K A -1.0614
141 S A 0.0734
142 T A -0.4324
143 S A 0.5084
144 L A 1.6164
145 T A 1.1323
146 F A 1.6659
147 H A 0.3946
148 W A 0.9602
149 K A -0.4957
150 L A 1.2455
151 W A 0.8150
152 G A -1.0185
153 R A -2.8881
154 H A -3.0910
155 R A -3.8283
156 G A -3.4748
157 R A -4.0803
158 R A -3.9420
159 R A -3.1465
160 G A -1.2713
161 L A 0.4828
162 A A 0.1801
163 H A -1.1490
164 P A -1.8280
165 K A -2.9571
166 N A -2.3895
167 H A -1.4210
168 L A 0.6292
169 S A 0.0747
170 P A -0.9160
171 Q A -2.0922
172 Q A -2.2481
173 G A -1.6616
174 G A -0.9998
175 A A -0.3590
176 T A -0.5258
177 P A -0.5097
178 Q A -0.4810
179 V A 0.9322
180 P A 0.2832
181 S A 0.0327
182 P A 0.0703
183 C A 0.5401
184 C A 0.6080
185 R A -0.6945
186 F A 0.2120
187 D A -1.4220
188 S A -1.3823
189 P A -1.8337
190 R A -2.3606
191 G A -1.6371
192 P A -1.1960
193 P A -1.0829
194 P A -0.8349
195 P A -1.0616
196 R A -1.2561
197 L A 0.9203
198 G A 0.9062
199 L A 2.1769
200 L A 2.1443
201 G A 1.1163
202 A A 1.1605
203 L A 1.7768
204 M A 1.1240
205 A A -0.3644
206 E A -2.0587
207 D A -2.5004
208 G A -1.3508
209 V A -0.0359
210 R A -1.5580
211 G A -1.1352
212 S A -0.8222
213 P A -0.2111
214 P A 0.2917
215 V A 1.3779
216 P A 0.3314
217 S A -0.3200
218 G A -0.5005
219 P A -0.4086
220 P A -0.6332
221 M A -0.8019
222 E A -2.6669
223 E A -3.4391
224 D A -2.9261
225 G A -1.4182
226 L A 0.2613
227 R A -0.6160
228 W A 0.3841
229 T A -0.3414
230 P A -0.8756
231 K A -1.8857
232 S A -1.0086
233 P A -0.4104
234 L A 0.3570
235 D A -1.4871
236 P A -1.7094
237 D A -2.4879
238 S A -1.0856
239 G A 0.0402
240 L A 1.9935
241 L A 2.2525
242 S A 1.3129
243 C A 1.2396
244 T A 0.9777
245 L A 1.3103
246 P A -0.2392
247 N A -0.9162
248 G A -0.2966
249 F A 1.1273
250 G A -0.0927
251 G A -0.9356
252 Q A -1.7235
253 S A -1.1892
254 G A -1.3061
255 P A -1.4889
256 E A -2.8425
257 G A -2.6904
258 E A -3.2295
259 R A -2.7347
260 S A -0.9119
261 L A 0.6827
262 A A 0.1734
263 P A -0.3997
264 P A -1.0429
265 D A -1.8792
266 A A -0.8162
267 S A 0.1670
268 I A 1.2148
269 L A 1.9876
270 I A 1.2082
271 S A 0.6004
272 N A 0.2799
273 V A 1.9511
274 C A 1.2916
275 S A 0.9985
276 I A 1.2953
277 G A -0.4094
278 D A -1.5405
279 H A -0.9977
280 V A 0.2001
281 A A -0.0888
282 Q A -1.0317
283 E A -1.2483
284 L A 0.7928
285 F A 0.9480
286 Q A -1.1872
287 G A -0.8608
288 S A -0.9585
289 D A -1.4377
290 L A 0.5682
291 G A 0.4119
292 M A 0.3725
293 A A -0.6926
294 E A -2.4287
295 E A -3.1243
296 A A -2.5268
297 E A -3.1510
298 R A -3.2661
299 P A -2.2063
300 G A -2.1923
301 E A -3.0192
302 K A -2.8945
303 A A -1.8349
304 G A -1.8700
305 Q A -2.1869
306 H A -1.8023
307 S A -1.3510
308 P A -1.2456
309 L A -1.3910
310 R A -3.0931
311 E A -3.2657
312 E A -2.8781
313 H A 0.0000
314 V A -1.2476
315 T A -1.4379
316 C A -0.9364
317 V A 0.0000
318 Q A -1.5470
319 S A -1.3345
320 I A 0.0000
321 L A 0.0000
322 D A -2.0271
323 E A -2.6251
324 F A -1.3505
325 L A 0.0000
326 Q A -1.2511
327 T A -1.0195
328 Y A 0.0000
329 G A 0.0000
330 S A 0.0000
331 L A 0.0000
332 I A 0.0000
333 P A 0.0000
334 L A 0.0000
335 S A -1.2800
336 T A -1.3237
337 D A -2.6174
338 E A -2.4959
339 V A 0.0000
340 V A 0.0000
341 E A -4.0511
342 K A -3.0835
343 L A 0.0000
344 E A -3.2477
345 D A -3.0808
346 I A -0.8740
347 F A -1.2517
348 Q A -2.5092
349 Q A -2.5238
350 E A -3.0460
351 F A 0.0000
352 S A -1.7408
353 T A -0.9630
354 P A -0.4982
355 S A -0.4797
356 R A 0.0000
357 K A -0.9479
358 G A -0.2289
359 L A 0.0982
360 V A 0.0000
361 L A -0.1468
362 Q A -1.0301
363 L A -0.7043
364 I A 0.0000
365 Q A -1.6469
366 S A -1.1834
367 Y A 0.0000
368 Q A -1.8667
369 R A -2.2645
370 M A -0.9594
371 P A -0.7709
372 G A -0.7179
373 N A -0.7938
374 A A -0.5835
375 M A -0.1995
376 V A -0.9432
377 R A -2.0599
378 G A -1.7661
379 F A 0.0000
380 R A -1.7805
381 V A 0.0000
382 A A -0.0698
383 Y A -1.0362
384 K A -2.2745
385 R A -2.4347
386 H A -1.0860
387 V A -0.2079
388 L A 0.0000
389 T A -1.3816
390 M A -1.4629
391 D A -2.0076
392 D A 0.0000
393 L A 0.0000
394 G A -0.4371
395 T A -0.6297
396 L A 0.0000
397 Y A 0.3646
398 G A -0.7510
399 Q A -1.5219
400 N A -0.9193
401 W A -0.3225
402 L A 0.0000
403 N A -1.0613
404 D A -0.9274
405 Q A -0.9326
406 V A 0.0000
407 M A 0.0000
408 N A 0.0000
409 M A 0.0000
410 Y A 0.0000
411 G A 0.0000
412 D A 0.0000
413 L A 0.0000
414 V A 0.0000
415 M A -0.6627
416 D A -1.3928
417 T A -0.6248
418 V A -0.6990
419 P A -1.4287
420 E A -2.5771
421 K A -1.9035
422 V A 0.0000
423 H A -0.9512
424 F A 0.0000
425 F A 0.0000
426 N A -0.1502
427 S A 0.0000
428 F A 0.2024
429 F A 0.0000
430 Y A 0.0000
431 D A -2.8765
432 K A -2.9431
433 L A 0.0000
434 R A -3.5925
435 T A -2.6763
436 K A -3.3970
437 G A -2.8414
438 Y A -2.2802
439 D A -2.8491
440 G A -2.7838
441 V A 0.0000
442 K A -2.3769
443 R A -2.9115
444 W A -1.2577
445 T A 0.0000
446 K A -2.9190
447 N A -2.1904
448 V A -1.1721
449 D A -1.4109
450 I A 0.0000
451 F A 0.0000
452 N A -2.3637
453 K A -2.4078
454 E A -2.7850
455 L A 0.0000
456 L A 0.0000
457 L A 0.0000
458 I A 0.0000
459 P A 0.0000
460 I A 0.0000
461 H A -0.8894
462 L A -0.9787
463 E A -1.7958
464 V A -0.6358
465 H A 0.0000
466 W A 0.0000
467 S A 0.0000
468 L A 0.0000
469 I A 0.0000
470 S A 0.0000
471 V A 0.0000
472 D A -1.9118
473 V A 0.0000
474 R A -3.4148
475 R A -3.3198
476 R A -2.5258
477 T A -1.5489
478 I A 0.0000
479 T A -0.3020
480 Y A 0.0000
481 F A 0.0000
482 D A 0.0000
483 S A 0.0000
484 Q A -2.2328
485 R A -2.5883
486 T A -1.0134
487 L A -1.0054
488 N A -1.6158
489 R A -2.5183
490 R A -3.1433
491 C A 0.0000
492 P A 0.0000
493 K A -2.5605
494 H A -2.2045
495 I A 0.0000
496 A A 0.0000
497 K A -2.1142
498 Y A 0.0000
499 L A 0.0000
500 Q A -0.8186
501 A A -0.5074
502 E A 0.0000
503 A A 0.0000
504 V A 0.2665
505 K A -1.2858
506 K A -1.5384
507 D A -1.8714
508 R A -1.3156
509 L A -0.1181
510 D A -1.5977
511 F A 0.0000
512 H A -1.0430
513 Q A -1.9234
514 G A -2.0742
515 W A 0.0000
516 K A -1.9462
517 G A -0.6690
518 Y A -0.1253
519 F A -0.6856
520 K A -1.5184
521 M A -2.0630
522 N A -2.4179
523 V A -0.9074
524 A A 0.0000
525 R A -2.8844
526 Q A 0.0000
527 N A -2.2194
528 N A -1.5718
529 D A -1.0496
530 S A 0.0000
531 D A 0.0000
532 C A 0.0000
533 G A 0.0000
534 A A 0.0000
535 F A 0.0000
536 V A 0.0000
537 L A 0.0000
538 Q A 0.0000
539 Y A 0.0000
540 C A 0.0000
541 K A 0.0000
542 H A 0.0000
543 L A 0.1233
544 A A 0.0000
545 L A 0.3540
546 S A -0.2668
547 Q A -0.3492
548 P A -0.3012
549 F A 0.1397
550 S A -0.1777
551 F A 0.0000
552 T A -1.1578
553 Q A -1.7507
554 Q A -1.9316
555 D A -1.6436
556 M A 0.0000
557 P A -1.6227
558 K A -2.3198
559 L A 0.0000
560 R A 0.0000
561 R A -1.1537
562 Q A -1.0832
563 I A 0.0000
564 Y A 0.0000
565 K A -0.9332
566 E A 0.0000
567 L A 0.0000
568 C A 0.0000
569 H A -1.1861
570 C A -1.2620
571 K A -1.8870
572 L A 0.0000
573 T A 0.2106
574 V A 1.5146
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Laboratory of Theory of Biopolymers 2018