Project name: Collagen 7 685 to 1240

Status: done

Started: 2026-07-07 09:39:59
Settings
Chain sequence(s) A: PVRTVHVTQASSSSVTITWTRVPGATGYRVSWHSAHGPEKSQLVSGEATVAELDGLEPDTEYTVHVRAHVAGVDGPPASVVVRTAPEPVGRVSRLQILNASSDVLRITWVGVTGATAYRLAWGRSEGGPMRHQILPGNTDSAEIRGLEGGVSYSVRVTALVGDREGTPVSIVVTTPPEAPPALGTLHVVQRGEHSLRLRWEPVPRAQGFLLHWQPEGGQEQSRVLGPELSSYHLDGLEPATQYRVRLSVLGPAGEGPSAEVTARTESPRVPSIELRVVDTSIDSVTLAWTPVSRASSYILSWRPLRGPGQEVPGSPQTLPGISSSQRVTGLEPGVSYIFSLTPVLDGVRGPEASVTQTPVCPRGLADVVFLPHATQDNAHRAEATRRVLERLVLALGPLGPQAVQVGLLSYSHRPSPLFPLNGSHDLGIILQRIRDMPYMDPSGNNLGTAVVTAHRYMLAPDAPGRRQHVPGVMVLLVDEPLRGDIFSPIREAQASGLNVVMLGMAGADPEQLRRLAPGMDSVQTFFAVDDGPSLDQAVSGLATALCQASF
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:19)
Show buried residues

Minimal score value
-3.4657
Maximal score value
1.5674
Average score
-0.8715
Total score value
-480.1754

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 P A -1.1892
2 V A 0.0000
3 R A -2.2955
4 T A -1.4499
5 V A 0.0000
6 H A -0.6637
7 V A -0.3346
8 T A -0.7944
9 Q A -1.5084
10 A A -1.1621
11 S A -1.4113
12 S A -1.7479
13 S A -1.7323
14 S A -1.9163
15 V A 0.0000
16 T A -1.3073
17 I A 0.0000
18 T A -0.4248
19 W A 0.0000
20 T A -1.3611
21 R A -2.4147
22 V A -1.4870
23 P A -1.0052
24 G A -0.8299
25 A A -0.8672
26 T A -0.2185
27 G A 0.0000
28 Y A 0.0000
29 R A -0.7282
30 V A 0.0000
31 S A -1.4188
32 W A 0.0000
33 H A -1.8199
34 S A -1.8000
35 A A -1.1024
36 H A -1.3587
37 G A -1.6955
38 P A -1.9476
39 E A -3.0541
40 K A -2.8753
41 S A -1.4767
42 Q A -0.3949
43 L A 1.0111
44 V A 0.4852
45 S A -0.3166
46 G A -1.2023
47 E A -2.1475
48 A A -0.7185
49 T A -0.4229
50 V A 0.2172
51 A A 0.0000
52 E A -2.2485
53 L A 0.0000
54 D A -2.7854
55 G A -1.8334
56 L A 0.0000
57 E A -3.0884
58 P A -2.4688
59 D A -2.5512
60 T A -2.4887
61 E A -2.6090
62 Y A 0.0000
63 T A -0.2319
64 V A 0.0000
65 H A -0.4263
66 V A 0.0000
67 R A -1.0238
68 A A 0.0000
69 H A 0.2211
70 V A 0.8333
71 A A 0.5803
72 G A 0.5228
73 V A 1.4991
74 D A 0.1045
75 G A -0.2463
76 P A -0.7565
77 P A -1.0909
78 A A 0.0000
79 S A -0.3089
80 V A 0.7665
81 V A 0.9566
82 V A 0.0000
83 R A -2.6628
84 T A 0.0000
85 A A -1.7300
86 P A -1.6646
87 E A -1.6996
88 P A -1.2899
89 V A -1.3074
90 G A -1.5102
91 R A -1.9304
92 V A 0.0000
93 S A -0.9293
94 R A -1.5181
95 L A 0.0000
96 Q A -0.3723
97 I A 0.7706
98 L A 0.8221
99 N A -0.7002
100 A A -0.5925
101 S A -1.5170
102 S A -1.9434
103 D A -2.6073
104 V A -1.9956
105 L A 0.0000
106 R A -1.1868
107 I A 0.0000
108 T A -0.5541
109 W A 0.0000
110 V A 0.3214
111 G A -0.6209
112 V A -0.4424
113 T A -0.3895
114 G A -0.6072
115 A A -0.8862
116 T A -0.6839
117 A A -0.5400
118 Y A 0.0000
119 R A -0.7755
120 L A 0.0000
121 A A 0.0000
122 W A -1.0070
123 G A -1.4621
124 R A -2.3480
125 S A -1.3796
126 E A -2.6322
127 G A -1.9924
128 G A -1.5894
129 P A -0.9880
130 M A -0.9844
131 R A -2.3601
132 H A -2.0449
133 Q A -1.2097
134 I A 0.5026
135 L A -0.1465
136 P A -0.5607
137 G A -0.9444
138 N A -1.8197
139 T A -1.2613
140 D A -1.4157
141 S A -0.8005
142 A A -0.8812
143 E A -1.3754
144 I A 0.0000
145 R A -2.7809
146 G A -2.1110
147 L A 0.0000
148 E A -3.0279
149 G A -2.1302
150 G A -1.4165
151 V A -1.3026
152 S A -0.7450
153 Y A 0.0000
154 S A -0.1120
155 V A 0.0000
156 R A -0.6064
157 V A 0.0000
158 T A 0.0000
159 A A 0.0000
160 L A -1.2371
161 V A -1.1163
162 G A -1.5785
163 D A -2.4991
164 R A -2.2533
165 E A -2.7097
166 G A -1.5729
167 T A -1.1385
168 P A -1.0759
169 V A -0.6696
170 S A 0.0518
171 I A 0.9446
172 V A 1.5674
173 V A 0.0000
174 T A -0.2263
175 T A 0.0000
176 P A -1.0808
177 P A -1.5611
178 E A -2.1191
179 A A -1.0542
180 P A 0.0000
181 P A -0.8623
182 A A -0.4238
183 L A 0.0000
184 G A -0.7720
185 T A -1.0674
186 L A 0.0000
187 H A -1.4588
188 V A -1.2223
189 V A -0.8684
190 Q A -2.3296
191 R A -3.1248
192 G A -2.6161
193 E A -2.8391
194 H A -2.9165
195 S A -3.0998
196 L A 0.0000
197 R A -2.5331
198 L A 0.0000
199 R A -2.3693
200 W A 0.0000
201 E A -1.3412
202 P A -1.3483
203 V A -1.1301
204 P A -1.6074
205 R A -2.5020
206 A A -1.8795
207 Q A -2.1508
208 G A 0.0000
209 F A 0.0000
210 L A 0.0876
211 L A 0.0000
212 H A -1.4773
213 W A 0.0000
214 Q A -2.7677
215 P A -3.0446
216 E A -3.2523
217 G A -1.9460
218 G A -1.9821
219 Q A -2.3762
220 E A -2.5454
221 Q A -2.2453
222 S A -1.3127
223 R A -0.8417
224 V A 1.0921
225 L A 0.0000
226 G A -0.4384
227 P A -1.4906
228 E A -2.1518
229 L A -0.8779
230 S A -1.1048
231 S A -1.3554
232 Y A -0.9981
233 H A -2.0811
234 L A 0.0000
235 D A -2.8712
236 G A -2.1297
237 L A 0.0000
238 E A -2.9403
239 P A -2.2637
240 A A -1.5472
241 T A -2.2481
242 Q A -3.0630
243 Y A 0.0000
244 R A -3.0387
245 V A 0.0000
246 R A -1.6643
247 L A 0.0000
248 S A 0.0000
249 V A 0.0000
250 L A -0.8481
251 G A -1.5023
252 P A -1.2913
253 A A -0.9611
254 G A -1.2570
255 E A -1.7458
256 G A -0.9491
257 P A -0.9202
258 S A -1.0852
259 A A -1.1372
260 E A -2.1059
261 V A -1.1354
262 T A -1.6151
263 A A -1.9438
264 R A -3.4657
265 T A 0.0000
266 E A -2.6451
267 S A -1.7503
268 P A -1.9026
269 R A -2.2261
270 V A -1.6699
271 P A -0.9947
272 S A -1.3022
273 I A 0.0000
274 E A -2.5570
275 L A 0.0000
276 R A -2.0632
277 V A -0.7786
278 V A -0.1928
279 D A -1.5980
280 T A -0.8808
281 S A -0.7501
282 I A -0.3514
283 D A -0.9635
284 S A 0.0000
285 V A 0.0000
286 T A -1.4513
287 L A 0.0000
288 A A -1.1540
289 W A 0.0000
290 T A -0.6128
291 P A -0.2821
292 V A 0.0000
293 S A -0.8948
294 R A -1.9744
295 A A -1.3014
296 S A -0.9677
297 S A -0.5744
298 Y A 0.0000
299 I A -0.4304
300 L A 0.0000
301 S A -0.4285
302 W A -0.0102
303 R A -0.5780
304 P A -0.1433
305 L A 0.6388
306 R A -0.8408
307 G A -1.1142
308 P A -1.2240
309 G A -1.5195
310 Q A -1.8558
311 E A -1.7254
312 V A 0.3661
313 P A -0.3352
314 G A -0.4542
315 S A -0.5077
316 P A -0.7933
317 Q A -0.8930
318 T A -0.4557
319 L A 0.0000
320 P A 0.3153
321 G A 0.2574
322 I A 1.4674
323 S A 0.6431
324 S A 0.1205
325 S A -0.5888
326 Q A -1.2136
327 R A -2.1635
328 V A 0.0000
329 T A -1.0734
330 G A -0.8407
331 L A 0.0000
332 E A -0.9196
333 P A 0.0000
334 G A 0.0000
335 V A 0.0332
336 S A 0.2717
337 Y A 0.0000
338 I A 0.4665
339 F A 0.0000
340 S A -0.4436
341 L A 0.0000
342 T A 0.0000
343 P A 0.0000
344 V A 0.0000
345 L A 0.0000
346 D A -2.4601
347 G A -1.5871
348 V A -1.4726
349 R A -2.4624
350 G A -1.7859
351 P A -1.7595
352 E A -2.4477
353 A A -1.7071
354 S A -0.9986
355 V A -0.3720
356 T A 0.0319
357 Q A -0.0578
358 T A 0.1045
359 P A 0.0000
360 V A -0.0934
361 C A 0.0000
362 P A -1.0653
363 R A -1.4922
364 G A 0.0000
365 L A 0.4213
366 A A 0.0000
367 D A 0.0000
368 V A 0.0000
369 V A 0.0000
370 F A 0.0000
371 L A 0.0000
372 P A 0.0000
373 H A 0.0000
374 A A 0.0000
375 T A 0.0000
376 Q A -1.9929
377 D A -2.5592
378 N A 0.0000
379 A A -1.5790
380 H A -1.9299
381 R A -1.6336
382 A A 0.0000
383 E A -2.7299
384 A A -1.8779
385 T A 0.0000
386 R A -2.2194
387 R A -1.9825
388 V A 0.0000
389 L A 0.0000
390 E A -0.8319
391 R A 0.0000
392 L A 0.0000
393 V A 0.0000
394 L A 0.4838
395 A A 0.0000
396 L A 0.0000
397 G A -0.0968
398 P A -0.6345
399 L A -0.3635
400 G A 0.0000
401 P A -1.0187
402 Q A -1.3713
403 A A -0.7868
404 V A 0.0000
405 Q A 0.0000
406 V A 0.0000
407 G A 0.0000
408 L A 0.0000
409 L A 0.0000
410 S A 0.0000
411 Y A 0.0000
412 S A 0.0000
413 H A -1.6477
414 R A -1.8024
415 P A -0.8065
416 S A -0.4797
417 P A -0.1028
418 L A -0.3043
419 F A 0.0000
420 P A -0.6508
421 L A 0.0000
422 N A -1.8252
423 G A -1.2424
424 S A -0.9521
425 H A -1.1313
426 D A -1.2559
427 L A -0.1768
428 G A -0.1893
429 I A 0.4113
430 I A 0.0000
431 L A -0.9174
432 Q A -1.4020
433 R A -2.0099
434 I A 0.0000
435 R A -2.9185
436 D A -2.9209
437 M A 0.0000
438 P A -0.6244
439 Y A -0.4963
440 M A 0.2909
441 D A -0.7043
442 P A -1.1596
443 S A -1.4596
444 G A -1.6386
445 N A -1.7421
446 N A -1.8857
447 L A 0.0000
448 G A 0.0000
449 T A -0.5404
450 A A 0.0000
451 V A 0.0000
452 V A 0.1879
453 T A -0.0390
454 A A 0.0000
455 H A -0.6373
456 R A -1.2479
457 Y A 0.1007
458 M A 0.0000
459 L A 0.0000
460 A A -1.3418
461 P A -1.7958
462 D A -2.2830
463 A A 0.0000
464 P A -0.9810
465 G A -1.3661
466 R A -1.4244
467 R A -1.7904
468 Q A -2.1117
469 H A -1.6169
470 V A -0.6032
471 P A -0.2684
472 G A 0.0000
473 V A 0.0000
474 M A 0.0000
475 V A 0.0000
476 L A 0.0000
477 L A 0.0000
478 V A 0.0000
479 D A 0.0000
480 E A -2.1469
481 P A -1.8688
482 L A 0.0000
483 R A -2.8368
484 G A -2.1870
485 D A -2.1250
486 I A 0.0000
487 F A -0.1795
488 S A -0.8421
489 P A -0.9159
490 I A 0.0000
491 R A -2.5470
492 E A -2.4652
493 A A 0.0000
494 Q A -2.0971
495 A A -1.6973
496 S A -1.2899
497 G A -1.1849
498 L A 0.0000
499 N A -1.3028
500 V A 0.0000
501 V A 0.0000
502 M A 0.0000
503 L A 0.0000
504 G A 0.0000
505 M A 0.0000
506 A A -0.3938
507 G A -1.1183
508 A A -1.2600
509 D A -1.8300
510 P A -1.9214
511 E A -3.1416
512 Q A -2.4239
513 L A 0.0000
514 R A -3.1059
515 R A -2.9472
516 L A -1.8440
517 A A -1.6707
518 P A -1.2364
519 G A -0.8854
520 M A -0.1233
521 D A -2.0529
522 S A -1.8478
523 V A 0.0000
524 Q A -1.6382
525 T A -0.6329
526 F A -0.1374
527 F A 0.4498
528 A A 0.0000
529 V A 1.0906
530 D A -0.4865
531 D A -1.4116
532 G A -0.8667
533 P A -0.8250
534 S A -0.4993
535 L A 0.0000
536 D A -1.3165
537 Q A -1.3886
538 A A 0.0000
539 V A 0.0000
540 S A -0.7058
541 G A -0.5016
542 L A 0.0000
543 A A 0.0000
544 T A -0.4548
545 A A -0.6161
546 L A 0.0000
547 C A 0.0000
548 Q A -0.5830
549 A A -0.0434
550 S A 0.0000
551 F A 1.3909
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Laboratory of Theory of Biopolymers 2018