Project name: construct 6

Status: done

Started: 2024-04-20 19:05:52
Settings
Chain sequence(s) A: GTSSAFTQVDNFSHFYDRGNHLVNGKPSFTVDQAADQLTRSGASWYDLNGDGVINLSYTFLTSPPPGYASRGLGTFSSFSGLQKEQAKLSLESWADVAKVTFTEGPAARGDDGHMTFANFSASNGGAAFAYLPNSSRKGESWYLINKDYDVNKTPGEGNYGRQTLTHEIGHTLGLSHPGDYNAGNGNPSYRDAVYGEDTRAYSVMSYWSEKNTGQVFTKTGEGAYASAPLLDDIAAVQKLYGANMGGGGSGGGGSGGGGSGGGGSITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK
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                                          (00:04:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:06)
Show buried residues

Minimal score value
-3.3793
Maximal score value
1.983
Average score
-0.6148
Total score value
-357.1819

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 G A -0.3450
2 T A 0.0177
3 S A 0.2530
4 S A 0.1840
5 A A 0.3421
6 F A 1.2876
7 T A 0.0435
8 Q A -0.5822
9 V A 0.0824
10 D A -1.4193
11 N A -1.1823
12 F A 0.0000
13 S A -1.0797
14 H A -1.4146
15 F A -0.7811
16 Y A -1.1394
17 D A -1.6103
18 R A -2.1912
19 G A -1.7248
20 N A -1.9518
21 H A -1.6134
22 L A -0.9878
23 V A -0.8902
24 N A -1.4292
25 G A 0.0000
26 K A -0.9106
27 P A -0.7867
28 S A -0.6385
29 F A -0.3450
30 T A -0.2470
31 V A -0.2420
32 D A -0.4653
33 Q A -0.5654
34 A A -0.6561
35 A A -0.9157
36 D A -1.8965
37 Q A -1.4594
38 L A 0.0000
39 T A -1.6448
40 R A -2.4075
41 S A -1.6851
42 G A -1.2491
43 A A -0.4419
44 S A 0.0635
45 W A 0.1993
46 Y A 0.2874
47 D A -1.3059
48 L A 0.0000
49 N A -2.1379
50 G A -2.3295
51 D A -3.0208
52 G A -1.7279
53 V A -1.1329
54 I A -0.6491
55 N A -0.3326
56 L A 0.1064
57 S A 0.0000
58 Y A 0.0000
59 T A 0.0000
60 F A 0.0000
61 L A 0.0000
62 T A -0.5727
63 S A -0.2998
64 P A -0.5764
65 P A -0.5435
66 P A -0.4327
67 G A -0.6504
68 Y A -0.5372
69 A A -0.6179
70 S A -1.0805
71 R A -1.8765
72 G A -0.8275
73 L A 0.0947
74 G A 0.0000
75 T A -0.6028
76 F A -0.0670
77 S A 0.0000
78 S A -0.2055
79 F A -0.0563
80 S A -0.3376
81 G A -0.4735
82 L A 0.0964
83 Q A 0.0000
84 K A -1.0918
85 E A -1.7019
86 Q A 0.0000
87 A A 0.0000
88 K A -1.2914
89 L A -0.8284
90 S A 0.0000
91 L A 0.0000
92 E A -1.9660
93 S A -1.0131
94 W A 0.0000
95 A A -1.4449
96 D A -1.2936
97 V A 0.0000
98 A A -1.0055
99 K A -1.8658
100 V A 0.0000
101 T A -0.4746
102 F A -0.0131
103 T A -0.4349
104 E A -1.8258
105 G A -0.8331
106 P A -0.7527
107 A A 0.0000
108 A A -1.0839
109 R A -2.8351
110 G A -2.8200
111 D A -3.3793
112 D A -3.3470
113 G A -2.4773
114 H A -2.2905
115 M A 0.0000
116 T A -1.3689
117 F A 0.0000
118 A A 0.1603
119 N A 0.5879
120 F A 1.5814
121 S A 0.5250
122 A A -0.3000
123 S A -0.7078
124 N A -1.8528
125 G A -1.7539
126 G A 0.0000
127 A A 0.0000
128 A A 0.3985
129 F A 0.0000
130 A A 0.0000
131 Y A 0.0000
132 L A 0.0000
133 P A 0.0000
134 N A 0.0000
135 S A 0.0000
136 S A 0.0000
137 R A -0.1201
138 K A 0.0000
139 G A 0.0000
140 E A -1.1296
141 S A -0.3101
142 W A 0.6698
143 Y A 0.9330
144 L A 1.3106
145 I A -0.0446
146 N A -1.6619
147 K A -2.6155
148 D A -2.3351
149 Y A -0.6461
150 D A -1.3066
151 V A -0.8061
152 N A 0.0000
153 K A -0.8542
154 T A -0.9585
155 P A -0.9448
156 G A -1.6807
157 E A -2.4777
158 G A -1.5664
159 N A -1.8696
160 Y A -0.9474
161 G A 0.0000
162 R A -0.9164
163 Q A 0.0000
164 T A -0.0838
165 L A 0.0000
166 T A 0.0000
167 H A -0.1770
168 E A 0.0000
169 I A 0.0000
170 G A 0.0000
171 H A -0.5384
172 T A 0.0000
173 L A 0.0000
174 G A 0.0000
175 L A 0.0000
176 S A -0.7983
177 H A -0.9414
178 P A -0.9363
179 G A -1.6035
180 D A -2.3357
181 Y A -1.5490
182 N A -2.2180
183 A A -1.6410
184 G A -2.1843
185 N A -2.3024
186 G A -2.3095
187 N A -2.8388
188 P A -2.0621
189 S A -0.8731
190 Y A 0.1380
191 R A 0.0000
192 D A -0.1184
193 A A 0.5529
194 V A 1.0046
195 Y A 0.6991
196 G A -0.4955
197 E A -2.2080
198 D A -1.8066
199 T A -1.6759
200 R A -2.3894
201 A A 0.0000
202 Y A -0.4648
203 S A 0.0000
204 V A 0.0000
205 M A 0.0000
206 S A 0.0000
207 Y A 0.9540
208 W A 1.1567
209 S A 0.0000
210 E A -1.2767
211 K A -2.3942
212 N A -2.8558
213 T A -1.7913
214 G A -1.7229
215 Q A -0.8122
216 V A 1.4285
217 F A 1.9830
218 T A 1.0832
219 K A 0.0444
220 T A 0.0000
221 G A 0.0000
222 E A 0.0000
223 G A 0.0000
224 A A -0.2766
225 Y A 0.0000
226 A A 0.0000
227 S A -0.6915
228 A A -1.0131
229 P A -0.7993
230 L A -0.4899
231 L A -0.8225
232 D A -1.9591
233 D A -1.4276
234 I A 0.0000
235 A A -1.1645
236 A A -0.8753
237 V A 0.0000
238 Q A 0.0000
239 K A -1.1715
240 L A 0.7109
241 Y A 0.2302
242 G A -0.5713
243 A A 0.0000
244 N A -0.9865
245 M A -0.6524
246 G A -1.1493
247 G A -1.5556
248 G A -1.1531
249 G A -0.8247
250 S A -1.3374
251 G A -1.3572
252 G A -1.6030
253 G A -1.5352
254 G A -1.4871
255 S A -1.0299
256 G A -1.2640
257 G A -1.4247
258 G A -1.5937
259 G A -1.4522
260 S A -1.3608
261 G A -1.3526
262 G A -1.2540
263 G A -1.1899
264 G A -1.0188
265 S A -0.3926
266 I A 0.0778
267 T A -0.6451
268 G A -0.6572
269 T A -0.7713
270 S A -0.1388
271 T A 0.4884
272 V A 1.1218
273 G A 0.0000
274 V A -0.4865
275 G A 0.0000
276 R A -1.5118
277 G A 0.0000
278 V A 0.3336
279 L A 0.6172
280 G A -0.8624
281 D A -2.2905
282 Q A -2.0381
283 K A -1.8714
284 N A -1.2788
285 I A 0.0000
286 N A -0.2856
287 T A 0.0000
288 T A 0.0000
289 Y A 0.1996
290 S A -0.4919
291 T A -0.2057
292 Y A 0.3006
293 Y A 0.1273
294 Y A 0.0000
295 L A 0.0000
296 Q A 0.0000
297 D A 0.0000
298 N A -1.9698
299 T A -1.3603
300 R A -1.6858
301 G A -1.9215
302 N A -2.1742
303 G A 0.0000
304 I A 0.0000
305 F A 0.0000
306 T A 0.0000
307 Y A -0.0414
308 D A 0.0000
309 A A 0.0000
310 K A -1.9755
311 Y A -1.5047
312 R A -1.8199
313 T A -0.9548
314 T A -0.5956
315 L A -0.3900
316 P A -0.6154
317 G A -0.6410
318 S A -0.2865
319 L A 0.4260
320 W A 0.0000
321 A A -0.2259
322 D A -0.8635
323 A A -0.8870
324 D A -1.9811
325 N A -0.9292
326 Q A -0.9941
327 F A 0.0000
328 F A 1.3786
329 A A 1.0017
330 S A 0.6412
331 Y A 1.2208
332 D A 0.5459
333 A A 0.0000
334 P A 0.0000
335 A A 0.0000
336 V A 0.0000
337 D A 0.0000
338 A A 0.0000
339 H A 0.0000
340 Y A 0.2256
341 Y A 0.0000
342 A A 0.0000
343 G A -0.0223
344 V A 0.2261
345 T A 0.0000
346 Y A 0.0000
347 D A -0.8799
348 Y A 0.0000
349 Y A 0.0000
350 K A -1.7246
351 N A -1.5475
352 V A -1.4157
353 H A 0.0000
354 N A -1.9593
355 R A -1.5940
356 L A -1.0661
357 S A 0.0000
358 Y A -0.2928
359 D A -0.4271
360 G A -1.0171
361 N A -1.7882
362 N A -1.8329
363 A A -1.3254
364 A A -1.2119
365 I A 0.0000
366 R A -0.6844
367 S A 0.0000
368 S A 0.0000
369 V A 0.0000
370 H A 0.0000
371 Y A -1.0939
372 S A -1.4383
373 Q A -2.2630
374 G A -2.2676
375 Y A -1.5587
376 N A -2.1691
377 N A -1.7099
378 A A -0.7217
379 F A -0.2185
380 W A 0.0000
381 N A -1.4908
382 G A -1.1064
383 S A -0.9591
384 Q A 0.0000
385 M A 0.0000
386 V A 0.0000
387 Y A 0.0000
388 G A 0.0000
389 D A -1.5866
390 G A -2.1229
391 D A -2.9675
392 G A -1.9879
393 Q A -2.0685
394 T A -1.1801
395 F A 0.0000
396 I A -0.5041
397 P A -0.6898
398 L A 0.0000
399 S A 0.0000
400 G A 0.0000
401 G A 0.0000
402 I A 0.0000
403 D A 0.0000
404 V A 0.0000
405 V A 0.0000
406 A A 0.0000
407 H A 0.0000
408 E A 0.0000
409 L A 0.0000
410 T A 0.0000
411 H A -0.1764
412 A A 0.0000
413 V A 0.0000
414 T A 0.0000
415 D A -0.1877
416 Y A 0.6975
417 T A 0.0649
418 A A 0.0000
419 G A 0.0948
420 L A 0.0000
421 I A 0.5843
422 Y A 0.2961
423 Q A -1.4024
424 N A -2.2741
425 E A -1.4233
426 S A -0.7135
427 G A 0.0000
428 A A 0.0000
429 I A 0.0000
430 N A 0.0000
431 E A -0.0911
432 A A 0.0000
433 I A 0.0000
434 S A 0.0000
435 D A 0.0000
436 I A 0.0000
437 F A 0.0000
438 G A 0.0000
439 T A 0.0000
440 L A 0.0000
441 V A 0.0000
442 E A 0.0000
443 F A -0.4285
444 Y A 0.0118
445 A A -0.4296
446 N A -1.5269
447 K A -1.9487
448 N A -2.2657
449 P A -1.7884
450 D A -2.3993
451 W A 0.0000
452 E A -1.3767
453 I A 0.0000
454 G A 0.0000
455 E A -2.1879
456 D A -0.6989
457 V A 0.0000
458 Y A -0.5009
459 T A -0.4808
460 P A -0.2477
461 G A 0.2107
462 I A 1.4506
463 S A -0.0828
464 G A -0.6415
465 D A -0.9274
466 S A 0.0000
467 L A -0.2781
468 R A -0.7194
469 S A 0.0000
470 M A 0.0000
471 S A -1.0375
472 D A -1.3031
473 P A 0.0000
474 A A -0.9486
475 K A -1.3599
476 Y A -0.5560
477 G A -0.7587
478 D A -0.9668
479 P A 0.0000
480 D A -1.0879
481 H A -1.0321
482 Y A -1.0718
483 S A -1.1932
484 K A -2.1415
485 R A -1.4139
486 Y A -1.0212
487 T A -1.0055
488 G A -1.1627
489 T A -1.6913
490 Q A -2.3858
491 D A -2.6026
492 N A -2.7854
493 G A 0.0000
494 G A 0.0000
495 V A 0.0000
496 H A -0.8521
497 I A -0.4111
498 N A 0.0000
499 S A 0.0000
500 G A 0.0000
501 I A 0.0000
502 I A 0.0000
503 N A 0.0000
504 K A 0.0000
505 A A 0.0000
506 A A 0.0000
507 Y A -0.4079
508 L A 0.0000
509 I A 0.0000
510 S A -1.0425
511 Q A -1.3134
512 G A -0.6324
513 G A -0.4775
514 T A -0.0142
515 H A 0.1672
516 Y A 0.9189
517 G A 0.2771
518 V A 0.1595
519 S A 0.0030
520 V A 0.0000
521 V A 0.5007
522 G A -0.5506
523 I A 0.0000
524 G A -1.5511
525 R A -1.6010
526 D A -2.2603
527 K A -1.8532
528 L A 0.0000
529 G A 0.0000
530 K A -1.6100
531 I A 0.0000
532 F A 0.0000
533 Y A 0.0000
534 R A -1.2591
535 A A 0.0000
536 L A 0.0000
537 T A -0.5629
538 Q A -1.3022
539 Y A -0.5629
540 L A 0.0000
541 T A -0.3674
542 P A -0.1248
543 T A -0.4537
544 S A 0.0000
545 N A -1.5469
546 F A 0.0000
547 S A -1.3591
548 Q A -1.2334
549 L A 0.0000
550 R A -1.6005
551 A A -0.9490
552 A A 0.0000
553 A A 0.0000
554 V A -0.7762
555 Q A -1.2148
556 S A 0.0000
557 A A 0.0000
558 T A -0.9100
559 D A -1.3414
560 L A -0.4964
561 Y A -0.2460
562 G A -0.6254
563 S A -0.6635
564 T A -0.3838
565 S A -0.4662
566 Q A -0.7318
567 E A -0.6156
568 V A 0.0000
569 A A -0.5358
570 S A 0.0000
571 V A 0.0000
572 K A -1.8606
573 Q A -1.2332
574 A A 0.0000
575 F A 0.0000
576 D A -1.9331
577 A A 0.0000
578 V A 0.0000
579 G A -1.1598
580 V A 0.0000
581 K A -2.5203
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Laboratory of Theory of Biopolymers 2018