Project name: 7CJF

Status: done

Started: 2026-03-23 03:19:21
Settings
Chain sequence(s) A: EVQLVESGGGLIQPGGSLRLSCAASGFIVSSNYMSWVRQAPGKGLEWVSIIYSGGSTFYADSVKKGRFTISRDNNSKNTLYLQMNSLRVEDTAVYYCARDLQELGSLDYWGQQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKY
C: NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP
B: DIQMTQSPSSVSASVGDRRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQEANSFPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
input PDB
Selected Chain(s) A,C,B
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 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                                          (00:06:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:16)
Show buried residues

Minimal score value
-3.7889
Maximal score value
1.9175
Average score
-0.5851
Total score value
-366.8853

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 -2.1454
2 V A 0.0000
3 Q A -1.3276
4 L A 0.0000
5 V A 0.9313
6 E A 0.0000
7 S A -0.2688
8 G A -0.6764
9 G A -0.0020
10 G A 0.6623
11 L A 1.1672
12 I A 0.2040
13 Q A -1.0032
14 P A -1.0882
15 G A -1.1632
16 G A -0.9215
17 S A -1.2313
18 L A -0.9409
19 R A -2.1351
20 L A 0.0000
21 S A -0.4288
22 C A 0.0000
23 A A -0.2022
24 A A -0.2608
25 S A -0.8965
26 G A -0.8441
27 F A 0.0000
28 I A 0.0426
29 V A 0.0000
30 S A -0.7083
31 S A 0.0000
32 N A 0.0000
33 Y A 0.0000
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 -0.7130
40 A A -1.1011
41 P A -0.8725
42 G A -1.5031
43 K A -2.4202
44 G A -1.7293
45 L A 0.0000
46 E A -1.1098
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 I A 0.0000
51 I A 0.0000
52 Y A 0.0000
53 S A 0.0000
54 G A -0.9620
55 G A -0.6971
56 S A -0.3338
57 T A 0.0031
58 F A -0.0401
59 Y A -0.6846
60 A A 0.0000
61 D A -2.4227
62 S A -1.7028
63 V A 0.0000
64 K A -2.5410
65 G A -1.7383
66 R A -1.2982
67 F A 0.0000
68 T A -0.8334
69 I A 0.0000
70 S A -0.6688
71 R A -1.4611
72 D A -2.2112
73 N A -2.3289
74 S A -1.9371
75 K A -2.5138
76 N A -1.6735
77 T A 0.0000
78 L A 0.0000
79 Y A -0.7268
80 L A 0.0000
81 Q A -1.2884
82 M A 0.0000
83 N A -1.5185
84 S A -1.2868
85 L A 0.0000
86 R A -1.4248
87 V A 0.0094
88 E A -1.3790
89 D A 0.0000
90 T A 0.0702
91 A A 0.0000
92 V A 0.6146
93 Y A 0.0000
94 Y A 0.0000
95 C A 0.0000
96 A A 0.0000
97 R A 0.0000
98 D A 0.0000
99 L A 0.0000
100 Q A 0.0000
101 E A 0.0000
102 L A 0.4135
103 G A 0.0000
104 S A 0.0000
105 L A 0.0000
106 D A -0.1479
107 Y A -0.0383
108 W A -0.1423
109 G A 0.0000
110 Q A -1.1698
111 G A 0.0000
112 T A 0.4313
113 L A 1.1785
114 V A 0.0000
115 T A 0.5163
116 V A 0.0000
117 S A -0.2336
118 S A -0.4317
119 A A -0.5506
120 S A -0.5209
121 T A -0.7918
122 K A -1.2332
123 G A -1.3917
124 P A 0.0000
125 S A -0.4421
126 V A 0.0000
127 F A 0.0000
128 P A -1.3562
129 L A 0.0000
130 A A -1.0809
131 P A 0.0000
132 C A -0.6759
133 S A -1.1108
134 R A -1.9112
135 S A -1.4742
136 T A -1.3585
137 S A -1.6490
138 E A -2.1197
139 S A -1.3389
140 T A -1.0236
141 A A 0.0000
142 A A 0.0000
143 L A 0.0000
144 G A 0.0000
145 C A 0.0000
146 L A 0.0000
147 V A 0.0000
148 K A 0.0000
149 D A -0.4278
150 Y A 0.0000
151 F A 0.0000
152 P A -0.6488
153 E A -1.0614
154 P A -1.0604
155 V A -0.7908
156 T A -0.6034
157 V A -0.1976
158 S A -0.4893
159 W A 0.0000
160 N A -1.0071
161 S A -0.7905
162 G A -0.5961
163 A A -0.2609
164 L A -0.0785
165 T A -0.1870
166 S A -0.1851
167 G A -0.2259
168 V A 0.1749
169 H A -0.3189
170 T A 0.0126
171 F A 0.0000
172 P A -0.4022
173 A A 0.0690
174 V A 0.3853
175 L A 0.9658
176 Q A 0.2322
177 S A -0.0706
178 S A -0.2184
179 G A 0.1971
180 L A 0.0110
181 Y A 0.2706
182 S A 0.0000
183 L A 0.0000
184 S A 0.0000
185 S A 0.0000
186 V A 0.0000
187 V A 0.0000
188 T A -0.1115
189 V A 0.0000
190 P A -0.8237
191 S A -0.8828
192 S A -0.6506
193 S A -0.8345
194 L A -0.9947
195 G A -1.1630
196 T A -1.2869
197 K A -2.0790
198 T A -1.6871
199 Y A 0.0000
200 T A -2.0212
201 C A 0.0000
202 N A -1.6884
203 V A 0.0000
204 D A -1.8443
205 H A 0.0000
206 K A -2.7909
207 P A -1.7597
208 S A -1.8737
209 N A -2.5741
210 T A -2.0737
211 K A -2.6677
212 V A -1.6846
213 D A -2.7551
214 K A -2.5229
215 R A -2.9441
216 V A 0.0000
217 E A -2.8612
218 S A -1.5483
219 K A -1.7079
220 Y A 0.0205
1 D B -1.9303
2 I B -1.3908
3 Q B -2.0061
4 M B 0.0000
5 T B -1.4850
6 Q B 0.0000
7 S B -0.9662
8 P B -0.6245
9 S B -0.9587
10 S B -0.9724
11 V B -0.4700
12 S B -0.7764
13 A B 0.0000
14 S B -0.4219
15 V B 0.4697
16 G B -0.6614
17 D B -1.6097
18 R B -2.2599
19 V B 0.0000
20 T B -0.5973
21 I B 0.0000
22 T B -0.9628
23 C B 0.0000
24 R B -2.8673
25 A B 0.0000
26 S B -1.8362
27 Q B -1.6325
28 G B 0.0000
29 I B 0.0000
30 S B 0.0000
31 S B -0.3780
32 W B 0.0000
33 L B 0.0000
34 A B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 K B -1.6511
40 P B -1.4803
41 G B -1.6358
42 K B -2.5878
43 A B -1.6113
44 P B 0.0000
45 K B -1.4738
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.4207
50 A B 0.1472
51 A B 0.0000
52 S B -0.2276
53 S B 0.1162
54 L B 0.2934
55 Q B -0.2612
56 S B -0.2182
57 G B -0.5763
58 V B 0.0000
59 P B -0.4195
60 S B -0.4498
61 R B -0.7670
62 F B 0.0000
63 S B -0.3387
64 G B -0.2433
65 S B -0.7719
66 G B -1.1970
67 S B -0.9192
68 G B 0.0000
69 T B -1.8710
70 D B -2.7604
71 F B 0.0000
72 T B -0.8929
73 L B 0.0000
74 T B -0.6248
75 I B 0.0000
76 S B -1.3519
77 S B -1.1779
78 L B 0.0000
79 Q B -0.8678
80 P B -0.7458
81 E B -1.6332
82 D B 0.0000
83 F B -0.3962
84 A B 0.0000
85 T B -0.9001
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 E B 0.0000
91 A B 0.0000
92 N B 0.1060
93 S B 0.0363
94 F B 0.7379
95 P B -0.0762
96 Y B 0.0000
97 T B -0.6194
98 F B 0.0000
99 G B 0.0000
100 Q B -1.7469
101 G B -1.3397
102 T B 0.0000
103 K B -1.5720
104 L B 0.0000
105 E B -0.9914
106 I B -0.4014
107 K B -1.3544
108 R B -1.1540
109 T B -0.2224
110 V B 0.3785
111 A B 0.0030
112 A B -0.1038
113 P B 0.0000
114 S B -0.3283
115 V B 0.0000
116 F B 0.1980
117 I B 0.1456
118 F B 0.0000
119 P B -0.4529
120 P B 0.0000
121 S B 0.0000
122 D B -2.7277
123 E B -2.7312
124 Q B 0.0000
125 L B -2.0953
126 K B -2.6774
127 S B -1.6672
128 G B -1.3196
129 T B -0.9668
130 A B 0.0000
131 S B 0.0000
132 V B 0.0000
133 V B 0.0000
134 C B 0.0000
135 L B 0.0000
136 L B 0.0000
137 N B 0.0000
138 N B -0.9771
139 F B 0.0000
140 Y B 0.0000
141 P B -1.7591
142 R B -3.0388
143 E B -3.2225
144 A B -2.3527
145 K B -2.4257
146 V B -1.0632
147 Q B -0.5016
148 W B 0.0000
149 K B -0.4878
150 V B 0.0000
151 D B -1.9296
152 N B -1.4972
153 A B -0.2129
154 L B 0.7774
155 Q B -0.1661
156 S B -0.3558
157 G B -0.9056
158 N B -0.8136
159 S B -1.0951
160 Q B -1.4022
161 E B -1.8280
162 S B -0.8018
163 V B -0.8130
164 T B -1.2053
165 E B -2.2670
166 Q B -1.8936
167 D B -2.0131
168 S B -1.7469
169 K B -2.3597
170 D B -1.9222
171 S B -1.8378
172 T B 0.0000
173 Y B 0.0000
174 S B 0.0000
175 L B 0.0000
176 S B 0.0000
177 S B 0.0000
178 T B -0.6293
179 L B 0.0000
180 T B -0.4282
181 L B -0.6959
182 S B -1.0722
183 K B -2.0604
184 A B -1.9521
185 D B -2.7075
186 Y B 0.0000
187 E B -3.7867
188 K B -3.7889
189 H B -3.2963
190 K B -3.2076
191 V B -1.5403
192 Y B 0.0000
193 A B 0.0000
194 C B 0.0000
195 E B -0.8232
196 V B 0.0000
197 T B -1.2295
198 H B 0.0000
199 Q B -1.7605
200 G B -0.4254
201 L B -0.2033
202 S B -0.4454
203 S B -0.4205
204 P B -0.5470
205 V B 0.0511
206 T B -0.4181
207 K B -0.6257
208 S B -0.5854
209 F B -1.0438
210 N B -2.1251
211 R B -2.7416
212 G B -2.3902
213 E B -2.2217
334 N C -0.5864
335 L C 0.7800
336 C C 0.0000
337 P C -0.7334
338 F C 0.0000
339 G C -1.5869
340 E C -2.5175
341 V C 0.0000
342 F C 0.0000
343 N C -2.1960
344 A C -1.8450
345 T C -1.3164
346 R C -1.8603
347 F C 0.0000
348 A C -0.9184
349 S C -0.4536
350 V C 0.0000
351 Y C 0.1659
352 A C -0.1244
353 W C 0.0000
354 N C -1.9432
355 R C -2.2362
356 K C -2.5265
357 R C -2.4096
358 I C 0.0000
359 S C -1.1340
360 N C -1.2229
361 C C 0.0000
362 V C 0.4649
363 A C 0.0000
364 D C -0.0676
365 Y C 0.0000
366 S C 0.0970
367 V C 1.3571
368 L C 0.7307
369 Y C 0.2015
370 N C -0.5056
371 S C -0.0720
372 A C -0.2011
373 S C -0.2326
374 F C 0.0743
375 S C -0.2840
376 T C -0.4543
377 F C -0.3729
378 K C -1.4269
379 C C -0.6422
380 Y C -0.5208
381 G C -0.5393
382 V C -0.3771
383 S C -0.7214
384 P C -0.8224
385 T C -1.1057
386 K C -1.9874
387 L C 0.0000
388 N C -1.5372
389 D C -2.1842
390 L C -0.6648
391 C C 0.4797
392 F C 0.0000
393 T C 0.0000
394 N C -0.2310
395 V C 0.0000
396 Y C -1.2350
397 A C 0.0000
398 D C 0.0000
399 S C 0.0000
400 F C 0.0000
401 V C 0.0000
402 I C 0.0000
403 R C 0.0000
404 G C -0.5954
405 D C -1.1912
406 E C -1.1359
407 V C -0.9341
408 R C -1.8042
409 Q C 0.0000
410 I C 0.0000
411 A C 0.0000
412 P C -1.6601
413 G C -1.5344
414 Q C -1.3144
415 T C -0.7202
416 G C 0.0000
417 K C -0.3026
418 I C 0.0000
419 A C 0.0000
420 D C 0.0000
421 Y C 0.0000
422 N C 0.0000
423 Y C 0.0000
424 K C -1.4592
425 L C 0.0000
426 P C -2.0045
427 D C -2.9639
428 D C -2.7747
429 F C 0.0000
430 T C -0.6030
431 G C 0.0000
432 C C 0.0000
433 V C 0.0000
434 I C 0.0000
435 A C 0.0000
436 W C -0.0937
437 N C -0.3897
438 S C 0.0000
439 N C -0.5704
440 N C -1.0016
441 L C 0.3114
442 D C 0.0000
443 S C 0.0000
444 K C -0.9114
445 V C 0.6432
446 G C -0.1123
447 G C -0.3732
448 N C 0.0000
449 Y C -0.1377
450 N C -0.8609
451 Y C 0.0000
452 L C 0.1212
453 Y C 0.0000
454 R C 0.0000
455 L C 0.0000
456 F C 0.0000
457 R C -1.4557
458 K C -1.8018
459 S C -1.4645
460 N C -1.5822
461 L C 0.0000
462 K C -2.2058
463 P C -1.5153
464 F C -0.7182
465 E C -1.3291
466 R C -1.4892
467 D C 0.0394
468 I C 1.3097
469 S C 0.1930
470 T C -0.3351
471 E C -1.7655
472 I C -1.1387
473 Y C 0.0000
474 Q C -1.3610
475 A C 0.0000
476 G C 0.0000
477 S C -0.3483
478 T C -0.5869
479 P C -0.8088
480 C C 0.0000
481 N C -1.6459
482 G C -1.1352
483 V C 0.2079
484 E C -1.0714
485 G C 0.1320
486 F C 1.4509
487 N C 0.0000
488 C C 0.0000
489 Y C 0.0000
490 F C 0.0294
491 P C 0.0000
492 L C 0.0000
493 Q C 0.1596
494 S C 0.0403
495 Y C 0.0000
496 G C 0.0000
497 F C 0.0000
498 Q C 0.0000
499 P C -0.1699
500 T C -0.0572
501 N C 0.0000
502 G C 0.3507
503 V C 1.1870
504 G C 0.0786
505 Y C 0.0000
506 Q C -0.0723
507 P C 0.0000
508 Y C 0.0162
509 R C 0.0000
510 V C 0.0000
511 V C 0.0000
512 V C 0.0000
513 L C 0.0000
514 S C 0.1056
515 F C 0.0000
516 E C 0.7530
517 L C 1.9175
518 L C 1.6828
519 H C 0.0652
520 A C 0.2233
521 P C -0.0817
522 A C 0.2044
523 T C -0.4054
524 V C 0.0000
525 C C -0.0456
526 G C -0.1857
527 P C -0.4166
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018