Project name: foldly

Status: done

Started: 2025-03-04 09:10:54
Settings
Chain sequence(s) A: EVQLVESGGGLVKPGGSLRLSCAVSGFSLSNYHMSWVRQAPGKGLEWIGIISSNGNPYYADWARGRFTISKDDSKNTLYLQMNSLKTEDTAVYFCASDNSDGSLDYYGMDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFDDYAISWFRQAPGKGLEWVSTISSGGGTLFYTYHADSVKGRFTTFRDNAKNSVYLQMNSLRDEDTAVYYCARGTYCSTDVCSPDYWGQGTLVTVSS
C: DIQMTQSPSSVSASVGDRVTITCQASQNIYSNLAWYQQKPGKAPKLLIYKASTLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQSAYYGSGAADNAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
input PDB
Selected Chain(s) A,C
Distance of aggregation 5 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 all 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                                          (00:08:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:11)
Show buried residues

Minimal score value
-2.4559
Maximal score value
2.0003
Average score
-0.3006
Total score value
-243.4638

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 E A -1.7125
2 V A -0.0212
3 Q A -1.0906
4 L A 0.0000
5 V A 1.5401
6 E A 0.0000
7 S A -0.2690
8 G A -0.4588
9 G A -0.1748
10 G A -0.0553
11 L A 0.4633
12 V A -0.0427
13 K A -1.6840
14 P A -0.4882
15 G A -0.5182
16 G A -0.1919
17 S A -0.2518
18 L A -0.1246
19 R A -1.8415
20 L A 0.0000
21 S A -0.0344
22 C A 0.0000
23 A A 0.0252
24 V A 0.0000
25 S A -0.2824
26 G A -0.3725
27 F A 0.1378
28 S A -0.0696
29 L A 0.0000
30 S A -0.3732
31 N A -1.2177
32 Y A 0.1919
33 H A -0.0454
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.1503
40 A A -0.0631
41 P A -0.3375
42 G A -0.8146
43 K A -1.8068
44 G A -0.4425
45 L A 0.0000
46 E A -0.7744
47 W A 0.0000
48 I A 0.0000
49 G A 0.0000
50 I A 0.0000
51 I A 0.0000
52 S A 0.0000
53 S A -0.2475
54 N A -1.3151
55 G A -0.5530
56 N A -0.8498
57 P A -0.1911
58 Y A 0.2530
59 Y A 0.2542
60 A A 0.0000
61 D A -1.7200
62 W A 0.0629
63 A A 0.0000
64 R A -1.9286
65 G A -0.8640
66 R A -0.4403
67 F A 0.0000
68 T A -0.0462
69 I A 0.0000
70 S A -0.1369
71 K A -0.3254
72 D A -0.6773
73 D A -1.2357
74 S A -0.7105
75 K A -1.7793
76 N A -0.6692
77 T A -0.0449
78 L A 0.0000
79 Y A 0.1371
80 L A 0.0000
81 Q A -0.5670
82 M A 0.0000
83 N A -0.6967
84 S A -0.3310
85 L A 0.0000
86 K A -1.2892
87 T A -0.6282
88 E A -1.8326
89 D A 0.0000
90 T A -0.0130
91 A A 0.0000
92 V A 0.4819
93 Y A 0.0000
94 F A 0.0000
95 C A 0.0000
96 A A 0.0000
97 S A 0.0000
98 D A 0.0000
99 N A -1.0576
100 S A -0.5829
101 D A -1.8500
102 G A -0.8217
103 S A -0.0169
104 L A 1.3484
105 D A -0.5879
106 Y A 0.0027
107 Y A 0.0000
108 G A 0.0000
109 M A 0.0000
110 D A -0.3547
111 P A -0.1454
112 W A 0.1015
113 G A 0.0000
114 Q A -1.2074
115 G A -0.2696
116 T A 0.0391
117 L A 0.3721
118 V A 0.0000
119 T A 0.0000
120 V A 0.0000
121 S A -0.0724
122 S A -0.2142
123 A A -0.0501
124 S A -0.2153
125 T A -0.2572
126 K A -1.0039
127 G A -0.2779
128 P A 0.0000
129 S A -0.0775
130 V A 0.0000
131 F A 0.0000
132 P A -0.0298
133 L A 0.0000
134 A A 0.0000
135 P A 0.0000
136 S A -0.0717
137 S A -0.3573
138 K A -0.8121
139 S A 0.0000
140 T A -0.0366
141 S A -0.1800
142 G A -0.5679
143 G A -0.5561
144 T A -0.1412
145 A A 0.0000
146 A A 0.0000
147 L A 0.0000
148 G A 0.0000
149 C A 0.0000
150 L A 0.0000
151 V A 0.0000
152 K A 0.0000
153 D A -0.3360
154 Y A 0.0000
155 F A 0.0000
156 P A 0.0000
157 E A -0.4753
158 P A -0.2990
159 V A 0.1416
160 T A 0.0119
161 V A 0.1819
162 S A -0.0270
163 W A 0.0000
164 N A -0.2651
165 S A -0.3292
166 G A -0.4500
167 A A 0.0307
168 L A 0.2652
169 T A -0.0613
170 S A -0.2615
171 G A -0.1684
172 V A 0.3143
173 H A -0.0564
174 T A -0.0536
175 F A 0.0000
176 P A -0.1668
177 A A 0.0323
178 V A 0.5202
179 L A 1.3360
180 Q A 0.0636
181 S A -0.2750
182 S A -0.2912
183 G A -0.2179
184 L A 0.2080
185 Y A 0.4106
186 S A 0.0000
187 L A 0.0000
188 S A 0.0000
189 S A 0.0000
190 V A 0.0000
191 V A 0.0000
192 T A -0.0135
193 V A 0.0000
194 P A -0.2684
195 S A -0.1408
196 S A -0.2275
197 S A -0.0236
198 L A 0.1297
199 G A -0.4399
200 T A -0.3131
201 Q A -0.8772
202 T A -0.1882
203 Y A 0.0000
204 I A 0.3608
205 C A 0.0000
206 N A -0.3515
207 V A 0.0000
208 N A -0.9144
209 H A 0.0000
210 K A -1.8669
211 P A -0.3750
212 S A -0.3046
213 N A -1.4950
214 T A -0.5580
215 K A -1.7448
216 V A -0.3557
217 D A -1.7814
218 K A -1.2104
219 K A -1.4677
220 V A 0.0000
221 E A -1.8452
222 P A -0.5699
223 K A -0.6050
224 S A -0.1784
225 C A 0.3658
226 D A -1.9694
227 K A -2.0504
228 T A -0.7350
229 H A -1.0065
230 T A -0.0663
231 C A 0.6812
232 P A -0.1628
233 P A -0.1439
234 C A 0.6428
235 P A -0.1101
236 A A -0.0328
237 P A -0.5439
238 E A -1.8528
239 A A -0.3509
240 A A -0.0168
241 G A -0.5388
242 G A -0.5474
243 P A 0.0000
244 S A -0.0901
245 V A 0.0000
246 F A 0.9500
247 L A 0.5977
248 F A 1.3410
249 P A 0.0223
250 P A 0.0000
251 K A -1.7075
252 P A -0.4215
253 K A -0.4741
254 D A -0.3524
255 T A 0.0000
256 L A 0.0000
257 M A 0.5060
258 I A 2.0003
259 S A -0.0790
260 R A -1.3185
261 T A -0.3038
262 P A 0.0000
263 E A -1.0622
264 V A 0.0000
265 T A -0.0134
266 C A 0.0000
267 V A 0.0000
268 V A 0.0000
269 V A -0.0710
270 D A -0.9361
271 V A 0.0000
272 S A -0.2383
273 H A -1.3296
274 E A -2.0543
275 D A -0.6425
276 P A -0.4292
277 E A -1.7852
278 V A -0.4215
279 K A -1.6148
280 F A -0.0843
281 N A 0.0000
282 W A 0.0000
283 Y A 0.1730
284 V A -0.0778
285 D A -1.9764
286 G A -0.4704
287 V A 1.5132
288 E A -0.6471
289 V A -0.0802
290 H A -1.1657
291 N A -1.4484
292 A A -0.5267
293 K A -1.7064
294 T A -0.4917
295 K A -0.7523
296 P A -0.6732
297 R A -1.9729
298 E A -2.4559
299 E A -2.2331
300 Q A -0.4911
301 Y A 1.0104
302 N A -1.0701
303 S A -0.4408
304 T A -0.0526
305 Y A 0.0000
306 R A -0.9686
307 V A 0.0000
308 V A 0.2051
309 S A 0.0000
310 V A 0.0000
311 L A 0.0000
312 T A -0.2059
313 V A 0.0000
314 L A 1.1863
315 H A -0.1040
316 Q A -1.2830
317 D A -0.5801
318 W A 0.0000
319 L A -0.0007
320 N A -1.2318
321 G A 0.0000
322 K A -0.7721
323 E A -1.6632
324 Y A 0.0000
325 K A -0.4107
326 C A 0.0000
327 K A -0.5583
328 V A 0.0000
329 S A -0.1135
330 N A 0.0000
331 K A -1.6931
332 A A -0.2390
333 L A 0.1382
334 P A -0.2125
335 A A -0.0271
336 P A -0.1310
337 I A 0.1660
338 E A -1.5532
339 K A -1.0560
340 T A -0.1957
341 I A 0.3218
342 S A -0.1643
343 K A 0.0000
344 A A -0.2748
345 K A -1.7795
346 G A -0.9966
347 Q A -1.2953
348 P A -0.3832
349 R A -1.0256
350 E A -1.9492
351 P A 0.0000
352 Q A -0.9882
353 V A 0.0000
354 Y A 0.8121
355 T A 0.2529
356 L A 0.5924
357 P A -0.0895
358 P A -0.0869
359 S A -0.4696
360 R A -2.1974
361 E A -2.2269
362 E A -0.7030
363 M A 0.0788
364 T A -0.3453
365 K A -1.9447
366 N A -1.7702
367 Q A -1.3854
368 V A 0.0000
369 S A -0.0352
370 L A 0.0000
371 T A -0.0755
372 C A 0.0000
373 L A 0.2428
374 V A 0.0000
375 K A -0.5666
376 G A -0.1691
377 F A 0.0000
378 Y A 0.1493
379 P A 0.0000
380 S A -0.2221
381 D A -0.8534
382 I A 0.0498
383 A A 0.0000
384 V A 0.0000
385 E A -0.5052
386 W A 0.0000
387 E A -0.4193
388 S A 0.0000
389 N A -1.3567
390 G A -0.9095
391 Q A -1.3280
392 P A -0.5257
393 E A 0.0000
394 N A -1.5007
395 N A -1.4471
396 Y A -0.2565
397 K A -1.6508
398 T A -0.3476
399 T A -0.0871
400 P A -0.2758
401 P A 0.0594
402 V A 1.2920
403 L A 1.6542
404 D A -0.4006
405 S A -0.6515
406 D A -1.8858
407 G A -0.6448
408 S A 0.0000
409 F A 0.5501
410 F A 0.3382
411 L A 0.0000
412 Y A 0.6252
413 S A 0.0000
414 K A -1.1514
415 L A 0.0000
416 T A -0.0157
417 V A 0.0000
418 D A -1.1141
419 K A -0.7807
420 S A -0.4132
421 R A -0.5688
422 W A 0.0000
423 Q A -1.4180
424 Q A -1.4386
425 G A -0.3027
426 N A -0.1728
427 V A 1.2978
428 F A 0.0000
429 S A 0.0000
430 C A 0.0000
431 S A 0.0000
432 V A 0.0000
433 M A 0.0000
434 H A 0.0000
435 E A -0.2357
436 A A -0.2261
437 L A -0.0461
438 H A -1.1903
439 N A -1.4827
440 H A -0.2883
441 Y A 0.4789
442 T A -0.0372
443 Q A -0.8005
444 K A -0.8887
445 S A -0.3474
446 L A 0.0000
447 S A 0.2406
448 L A 0.7388
449 S A 0.0000
450 P A -0.2125
451 G A -0.8255
452 K A -1.8723
453 G A -0.8688
454 G A -0.6378
455 G A -0.6376
456 G A -0.5918
457 S A -0.2983
458 G A -0.5534
459 G A -0.6375
460 G A -0.5505
461 G A -0.5055
462 S A -0.3835
463 G A -0.5923
464 G A -0.6383
465 G A -0.6369
466 G A -0.5915
467 S A -0.6576
468 E A -1.8143
469 V A -0.1422
470 Q A -0.6514
471 L A 0.0000
472 V A 0.8728
473 E A 0.0000
474 S A -0.2472
475 G A -0.3973
476 G A -0.2837
477 G A 0.0618
478 L A 1.5106
479 V A 0.0000
480 Q A -1.2193
481 P A -0.4170
482 G A -0.5216
483 G A -0.1751
484 S A -0.2247
485 L A -0.1378
486 R A -1.8237
487 L A 0.0000
488 S A -0.0268
489 C A 0.0000
490 A A 0.0224
491 A A 0.0000
492 S A -0.2462
493 G A -0.3399
494 F A 0.2178
495 T A -0.0230
496 F A 0.0000
497 D A -0.9021
498 D A -1.8277
499 Y A -0.0315
500 A A 0.0473
501 I A 0.0000
502 S A 0.0000
503 W A 0.0000
504 F A 0.0000
505 R A 0.0000
506 Q A -0.4571
507 A A -0.1427
508 P A -0.3382
509 G A -0.8149
510 K A -1.8694
511 G A -0.6250
512 L A 0.6365
513 E A -0.1425
514 W A 0.0000
515 V A 0.0000
516 S A 0.0000
517 T A 0.0000
518 I A 0.0000
519 S A -0.0552
520 S A -0.0857
521 G A -0.2744
522 G A -0.6327
523 G A -0.5641
524 T A 0.1250
525 L A 1.6193
526 F A 0.9858
527 Y A 1.3935
528 T A 0.4558
529 Y A 1.2851
530 H A 0.1096
531 A A 0.0000
532 D A -1.9778
533 S A -0.4142
534 V A 0.0000
535 K A -1.9656
536 G A -0.8265
537 R A -0.3668
538 F A 0.0000
539 T A -0.0529
540 T A 0.0000
541 F A 0.6365
542 R A 0.0000
543 D A -0.7670
544 N A -0.3674
545 A A -0.2781
546 K A -1.7833
547 N A -0.8474
548 S A 0.0000
549 V A 0.0000
550 Y A 0.1478
551 L A 0.0000
552 Q A -0.4094
553 M A 0.0000
554 N A -0.5328
555 S A -0.3144
556 L A 0.0000
557 R A -1.2249
558 D A -2.2801
559 E A -2.1413
560 D A 0.0000
561 T A -0.0147
562 A A 0.0000
563 V A 0.6157
564 Y A 0.0000
565 Y A 0.2037
566 C A 0.0000
567 A A 0.0000
568 R A 0.0000
569 G A 0.0000
570 T A 0.1674
571 Y A 1.3261
572 C A 0.3872
573 S A -0.0434
574 T A -0.4069
575 D A -1.6237
576 V A 0.7013
577 C A 0.3399
578 S A -0.0998
579 P A -0.3402
580 D A -1.3132
581 Y A 0.6034
582 W A 0.7959
583 G A -0.1496
584 Q A -1.2080
585 G A 0.0000
586 T A 0.2767
587 L A 1.6036
588 V A 0.0000
589 T A 0.1509
590 V A 0.0000
591 S A -0.1621
592 S A -0.2357
1 D C -1.7894
2 I C 0.0000
3 Q C -1.1983
4 M C 0.0000
5 T C -0.0962
6 Q C -0.1783
7 S C -0.2114
8 P C -0.2084
9 S C -0.2648
10 S C -0.2317
11 V C 0.2764
12 S C -0.1743
13 A C 0.0000
14 S C 0.0186
15 V C 1.2348
16 G C -0.3993
17 D C -1.3080
18 R C -2.0133
19 V C 0.0000
20 T C -0.0609
21 I C 0.0000
22 T C -0.0378
23 C C 0.0000
24 Q C -1.2237
25 A C 0.0000
26 S C -0.3644
27 Q C -1.1131
28 N C -1.4378
29 I C 0.0000
30 Y C 1.2943
31 S C 0.1878
32 N C 0.0000
33 L C 0.0000
34 A C 0.0000
35 W C 0.0000
36 Y C 0.0000
37 Q C -0.1282
38 Q C 0.0000
39 K C -0.6755
40 P C -0.3332
41 G C -0.7955
42 K C -1.7816
43 A C -0.3039
44 P C 0.0000
45 K C -1.4846
46 L C 0.0000
47 L C 0.0000
48 I C 0.0000
49 Y C 0.2294
50 K C -0.2773
51 A C 0.0000
52 S C -0.2259
53 T C 0.0362
54 L C 0.4858
55 E C -0.3365
56 S C -0.3707
57 G C -0.4698
58 V C 0.0913
59 P C -0.1234
60 S C -0.2839
61 R C -0.3135
62 F C 0.0000
63 S C -0.1998
64 G C -0.1590
65 S C -0.2780
66 G C -0.3790
67 S C -0.2830
68 G C -0.0929
69 T C -0.3437
70 D C -1.8119
71 F C 0.0000
72 T C -0.0201
73 L C 0.0000
74 T C -0.0218
75 I C 0.0000
76 S C -0.2939
77 S C -0.1871
78 L C 0.0000
79 Q C -0.5889
80 P C -0.4004
81 E C -1.2264
82 D C 0.0000
83 F C 0.0000
84 A C 0.0000
85 T C -0.1185
86 Y C 0.0000
87 Y C 0.0000
88 C C 0.0000
89 Q C 0.0000
90 S C 0.0000
91 A C 0.0000
92 Y C 0.2235
93 Y C 0.2222
94 G C -0.0688
95 S C -0.3086
96 G C -0.4990
97 A C -0.0521
98 A C -0.0156
99 D C -0.3058
100 N C 0.0000
101 A C 0.0408
102 F C 0.1892
103 G C 0.0000
104 G C -0.4663
105 G C 0.0000
106 T C 0.0000
107 K C -0.7605
108 V C 0.0000
109 E C -0.4511
110 I C 0.0000
111 K C -1.4350
112 R C -0.8908
113 T C 0.0143
114 V C 1.0920
115 A C 0.2163
116 A C 0.0062
117 P C 0.0000
118 S C -0.0911
119 V C 0.0000
120 F C 0.0000
121 I C 0.0000
122 F C 0.0000
123 P C -0.0348
124 P C 0.0000
125 S C 0.0000
126 D C -2.0308
127 E C -1.6611
128 Q C 0.0000
129 L C -0.1135
130 K C -1.7047
131 S C -0.5642
132 G C -0.3755
133 T C -0.1625
134 A C 0.0000
135 S C 0.0000
136 V C 0.0000
137 V C 0.0000
138 C C 0.0000
139 L C 0.0000
140 L C 0.0000
141 N C 0.0000
142 N C -0.5560
143 F C 0.0000
144 Y C 0.0000
145 P C -0.3320
146 R C -1.9561
147 E C -2.1110
148 A C -0.6318
149 K C -1.6638
150 V C -0.2380
151 Q C -0.5625
152 W C 0.0000
153 K C -0.0936
154 V C 0.0000
155 D C -1.0122
156 N C -1.4140
157 A C 0.0857
158 L C 1.3653
159 Q C -0.0715
160 S C -0.3512
161 G C -0.6844
162 N C -1.0950
163 S C -0.3317
164 Q C -0.7785
165 E C -1.4115
166 S C -0.2173
167 V C 0.2593
168 T C -0.2994
169 E C -1.8213
170 Q C 0.0000
171 D C -0.6403
172 S C -0.6269
173 K C -1.8102
174 D C -0.7085
175 S C -0.1608
176 T C 0.0000
177 Y C 0.0000
178 S C 0.0000
179 L C 0.0000
180 S C 0.0000
181 S C 0.0000
182 T C -0.0096
183 L C 0.0000
184 T C 0.0129
185 L C 0.1485
186 S C -0.2166
187 K C -0.7814
188 A C -0.2347
189 D C -0.8659
190 Y C 0.0000
191 E C -1.9502
192 K C -2.0597
193 H C -0.7818
194 K C -0.5401
195 V C 0.3010
196 Y C 0.0000
197 A C 0.0000
198 C C 0.0000
199 E C -0.3490
200 V C 0.0000
201 T C -0.0649
202 H C 0.0000
203 Q C -1.2319
204 G C -0.3536
205 L C 0.1700
206 S C -0.2074
207 S C -0.2894
208 P C -0.1679
209 V C 0.4251
210 T C -0.0893
211 K C -0.4375
212 S C -0.1210
213 F C 0.0000
214 N C -0.3822
215 R C -0.3661
216 G C -0.8326
217 E C -1.7730
218 C C 0.3725
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Laboratory of Theory of Biopolymers 2018