Project name: seq

Chain sequence(s)	A: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; C: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; B: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; E: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; D: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; G: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK; F: ERLRPLGGTIAVRLLEPVPPGRGGRLLLGKIGEESREAVVLEVGPGRRDRGEGVEPSDLEPGDRVLLRLDERVERVRVNGEEVLLLPESSVLAKWVK
Selected Chain(s)	A,C,B,E,D,G,F
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                          (00:13:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:34)

• Minimal score value: -3.3315
• Maximal score value: 0.177
• Average score: -1.0961
• Total score value: -744.2298

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
1	E	A	-3.3274
2	R	A	-3.0280
3	L	A	0.0000
4	R	A	-1.0884
5	P	A	0.0000
6	L	A	-0.4610
7	G	A	-0.9938
8	G	A	-1.0990
9	T	A	-0.4393
10	I	A	0.0000
11	A	A	0.0000
12	V	A	0.0000
13	R	A	-0.6031
14	L	A	-0.5487
15	L	A	-0.6619
16	E	A	-1.7148
17	P	A	-0.8837
18	V	A	-0.4675
19	P	A	-0.9611
20	P	A	-1.0928
21	G	A	-1.5470
22	R	A	-2.3467
23	G	A	-2.1283
24	G	A	-1.4670
25	R	A	-1.3392
26	L	A	-1.0313
27	L	A	-0.7170
28	L	A	-0.8949
29	G	A	-1.7755
30	K	A	-2.1459
31	I	A	-1.5711
32	G	A	-2.0381
33	E	A	-3.0124
34	E	A	-2.5277
35	S	A	0.0000
36	R	A	-1.4529
37	E	A	-0.8556
38	A	A	0.0000
39	V	A	-0.2436
40	V	A	0.0000
41	L	A	0.1770
42	E	A	0.0000
43	V	A	-0.3521
44	G	A	0.0000
45	P	A	-0.6754
46	G	A	0.0000
47	R	A	-2.3865
48	R	A	-2.2440
49	D	A	-2.4105
50	R	A	-2.4337
51	G	A	-2.6515
52	E	A	-3.3315
53	G	A	-2.2266
54	V	A	-1.5955
55	E	A	-2.1741
56	P	A	-1.0915
57	S	A	-1.1433
58	D	A	-1.1647
59	L	A	0.0000
60	E	A	-2.1233
61	P	A	-1.1213
62	G	A	-1.0802
63	D	A	-1.1962
64	R	A	-0.8564
65	V	A	0.0000
66	L	A	0.0000
67	L	A	0.0000
68	R	A	-1.2998
69	L	A	-1.4516
70	D	A	-1.8875
71	E	A	-2.7028
72	R	A	-1.9285
73	V	A	0.0000
74	E	A	0.0000
75	R	A	-0.7649
76	V	A	0.0000
77	R	A	-1.7494
78	V	A	-2.0575
79	N	A	-2.5003
80	G	A	-2.0577
81	E	A	-2.1054
82	E	A	-1.6246
83	V	A	0.0000
84	L	A	0.0000
85	L	A	0.0000
86	L	A	0.0000
87	P	A	-0.6332
88	E	A	-0.7527
89	S	A	-0.6109
90	S	A	0.0000
91	V	A	0.0000
92	L	A	-0.1386
93	A	A	0.0000
94	K	A	-0.9227
95	W	A	0.0000
96	V	A	-1.6764
97	K	A	-2.5256
1	E	B	-3.2397
2	R	B	-2.9256
3	L	B	0.0000
4	R	B	-1.2961
5	P	B	0.0000
6	L	B	0.0000
7	G	B	-1.0732
8	G	B	-1.1865
9	T	B	-0.6278
10	I	B	0.0000
11	A	B	0.0000
12	V	B	0.0000
13	R	B	-0.6709
14	L	B	-0.4665
15	L	B	-0.7252
16	E	B	-1.8120
17	P	B	-1.0672
18	V	B	-0.9145
19	P	B	-1.1967
20	P	B	-1.1279
21	G	B	-1.6104
22	R	B	-2.4617
23	G	B	-2.1864
24	G	B	-1.6643
25	R	B	-1.4595
26	L	B	-0.9975
27	L	B	-0.5380
28	L	B	-0.5653
29	G	B	-1.5505
30	K	B	-1.9922
31	I	B	-1.3849
32	G	B	-1.8836
33	E	B	-2.7442
34	E	B	-2.2443
35	S	B	0.0000
36	R	B	-1.1880
37	E	B	0.0000
38	A	B	0.0000
39	V	B	-0.3340
40	V	B	0.0000
41	L	B	-0.3240
42	E	B	-0.8478
43	V	B	0.0000
44	G	B	0.0000
45	P	B	-0.7951
46	G	B	0.0000
47	R	B	-2.2824
48	R	B	-1.9157
49	D	B	-2.2761
50	R	B	-2.3058
51	G	B	-2.4921
52	E	B	-2.9377
53	G	B	-1.8342
54	V	B	-0.7757
55	E	B	-1.8605
56	P	B	-0.9470
57	S	B	-1.1542
58	D	B	-1.2361
59	L	B	0.0000
60	E	B	-2.2514
61	P	B	-1.2939
62	G	B	-1.1767
63	D	B	-1.2795
64	R	B	-0.8739
65	V	B	0.0000
66	L	B	0.0000
67	L	B	0.0000
68	R	B	-1.1682
69	L	B	-1.3369
70	D	B	-1.7359
71	E	B	-2.6649
72	R	B	-1.9166
73	V	B	0.0000
74	E	B	0.0000
75	R	B	-0.7010
76	V	B	0.0000
77	R	B	-1.7522
78	V	B	-2.0284
79	N	B	-2.4990
80	G	B	-1.9006
81	E	B	-2.1693
82	E	B	-1.5685
83	V	B	0.0000
84	L	B	0.0000
85	L	B	0.0000
86	L	B	0.0000
87	P	B	-0.7140
88	E	B	-0.8113
89	S	B	-0.4220
90	S	B	0.0000
91	V	B	0.0000
92	L	B	-0.0759
93	A	B	0.0000
94	K	B	-0.9082
95	W	B	0.0000
96	V	B	-1.7784
97	K	B	-2.6742
1	E	C	-2.8960
2	R	C	-3.0761
3	L	C	0.0000
4	R	C	-1.2397
5	P	C	0.0000
6	L	C	0.0000
7	G	C	-1.1335
8	G	C	-1.2398
9	T	C	-0.6057
10	I	C	0.0000
11	A	C	0.0000
12	V	C	0.0000
13	R	C	-0.8900
14	L	C	-0.5961
15	L	C	-0.6104
16	E	C	-1.7155
17	P	C	-0.9642
18	V	C	-0.6896
19	P	C	-1.0615
20	P	C	-1.1735
21	G	C	-1.5542
22	R	C	-2.4119
23	G	C	-2.2091
24	G	C	-1.6804
25	R	C	-1.7728
26	L	C	-1.2344
27	L	C	-0.7941
28	L	C	-0.9870
29	G	C	-1.6646
30	K	C	-2.2838
31	I	C	-1.8611
32	G	C	-2.1195
33	E	C	-3.0252
34	E	C	-2.5137
35	S	C	0.0000
36	R	C	-1.3228
37	E	C	-0.8277
38	A	C	0.0000
39	V	C	-0.2833
40	V	C	0.0000
41	L	C	-0.1891
42	E	C	-0.8380
43	V	C	-0.6294
44	G	C	0.0000
45	P	C	-0.7131
46	G	C	0.0000
47	R	C	-2.4335
48	R	C	-2.2016
49	D	C	0.0000
50	R	C	-2.8143
51	G	C	-2.9407
52	E	C	-3.2841
53	G	C	-2.1497
54	V	C	-1.4457
55	E	C	-1.7942
56	P	C	-1.0432
57	S	C	-1.3200
58	D	C	-1.6191
59	L	C	0.0000
60	E	C	-2.2960
61	P	C	-1.2475
62	G	C	-1.1527
63	D	C	-1.2682
64	R	C	-0.8276
65	V	C	0.0000
66	L	C	0.0000
67	L	C	0.0000
68	R	C	-1.3628
69	L	C	-1.4718
70	D	C	-1.9059
71	E	C	-2.7498
72	R	C	-1.9577
73	V	C	0.0000
74	E	C	0.0000
75	R	C	-1.0966
76	V	C	0.0000
77	R	C	-2.1663
78	V	C	-2.2492
79	N	C	-2.6123
80	G	C	-2.3293
81	E	C	-2.8057
82	E	C	-2.4036
83	V	C	0.0000
84	L	C	0.0000
85	L	C	0.0000
86	L	C	0.0000
87	P	C	-0.7137
88	E	C	-0.9052
89	S	C	-0.6880
90	S	C	0.0000
91	V	C	0.0000
92	L	C	0.0000
93	A	C	0.0000
94	K	C	-0.9177
95	W	C	0.0000
96	V	C	-1.4267
97	K	C	-2.3453
1	E	D	-2.6118
2	R	D	-2.6080
3	L	D	0.0000
4	R	D	-1.1744
5	P	D	0.0000
6	L	D	0.0000
7	G	D	-1.1540
8	G	D	-1.1878
9	T	D	-0.6429
10	I	D	0.0000
11	A	D	0.0000
12	V	D	0.0000
13	R	D	-1.1228
14	L	D	-0.6287
15	L	D	-0.5802
16	E	D	-1.6587
17	P	D	-0.8470
18	V	D	-0.4673
19	P	D	-0.9714
20	P	D	-1.0195
21	G	D	-1.5382
22	R	D	-2.3341
23	G	D	-2.1210
24	G	D	-1.5021
25	R	D	-1.4515
26	L	D	-1.0262
27	L	D	-0.6818
28	L	D	-0.8582
29	G	D	-1.6484
30	K	D	-2.0695
31	I	D	-1.4559
32	G	D	-1.8248
33	E	D	-2.5871
34	E	D	-2.1415
35	S	D	0.0000
36	R	D	-1.2842
37	E	D	-0.8529
38	A	D	0.0000
39	V	D	-0.4950
40	V	D	0.0000
41	L	D	-0.5400
42	E	D	-0.9479
43	V	D	0.0000
44	G	D	0.0000
45	P	D	-0.7853
46	G	D	0.0000
47	R	D	-2.1364
48	R	D	-1.8087
49	D	D	0.0000
50	R	D	-2.4920
51	G	D	-2.6477
52	E	D	-3.0258
53	G	D	-1.8309
54	V	D	-1.0233
55	E	D	-1.7329
56	P	D	-0.9075
57	S	D	-1.1064
58	D	D	-1.1709
59	L	D	0.0000
60	E	D	-2.2526
61	P	D	-1.3225
62	G	D	-1.2471
63	D	D	-1.2949
64	R	D	-0.9846
65	V	D	0.0000
66	L	D	0.0000
67	L	D	0.0000
68	R	D	-1.2148
69	L	D	-1.3394
70	D	D	-1.8171
71	E	D	-2.8362
72	R	D	-2.1710
73	V	D	0.0000
74	E	D	0.0000
75	R	D	-1.2136
76	V	D	0.0000
77	R	D	-2.2548
78	V	D	-2.2961
79	N	D	-2.6170
80	G	D	-2.3386
81	E	D	-2.7362
82	E	D	-2.4367
83	V	D	0.0000
84	L	D	0.0000
85	L	D	0.0000
86	L	D	0.0000
87	P	D	-0.7481
88	E	D	-0.7857
89	S	D	-0.4547
90	S	D	0.0000
91	V	D	0.0000
92	L	D	0.0000
93	A	D	0.0000
94	K	D	-0.8638
95	W	D	0.0000
96	V	D	-1.4460
97	K	D	-2.4013
1	E	E	-2.7760
2	R	E	-2.5995
3	L	E	0.0000
4	R	E	-1.0804
5	P	E	0.0000
6	L	E	0.0000
7	G	E	-1.0011
8	G	E	-1.1036
9	T	E	-0.5576
10	I	E	0.0000
11	A	E	0.0000
12	V	E	0.0000
13	R	E	-0.7968
14	L	E	-0.5301
15	L	E	-0.6687
16	E	E	-1.7458
17	P	E	-0.9432
18	V	E	-0.6949
19	P	E	-1.0548
20	P	E	-1.0690
21	G	E	-1.5704
22	R	E	-2.3914
23	G	E	-2.1863
24	G	E	-1.6580
25	R	E	-1.4884
26	L	E	-1.0029
27	L	E	-0.5623
28	L	E	-0.6814
29	G	E	-1.3578
30	K	E	-1.9204
31	I	E	-1.1879
32	G	E	-1.7176
33	E	E	-2.6558
34	E	E	-2.2288
35	S	E	0.0000
36	R	E	-1.1393
37	E	E	0.0000
38	A	E	0.0000
39	V	E	-0.2773
40	V	E	0.0000
41	L	E	-0.2321
42	E	E	-0.8040
43	V	E	-0.6077
44	G	E	0.0000
45	P	E	-0.6504
46	G	E	0.0000
47	R	E	-2.3922
48	R	E	-2.1297
49	D	E	-2.4072
50	R	E	-2.5648
51	G	E	-2.6466
52	E	E	-3.1602
53	G	E	-2.0774
54	V	E	-1.2711
55	E	E	-1.9682
56	P	E	-1.0169
57	S	E	-1.2905
58	D	E	-1.6245
59	L	E	0.0000
60	E	E	-2.3026
61	P	E	-1.2720
62	G	E	-1.1535
63	D	E	-1.2550
64	R	E	-0.7072
65	V	E	0.0000
66	L	E	0.0000
67	L	E	0.0000
68	R	E	-1.1631
69	L	E	-1.3283
70	D	E	0.0000
71	E	E	-2.6263
72	R	E	-1.9236
73	V	E	0.0000
74	E	E	0.0000
75	R	E	-1.0514
76	V	E	0.0000
77	R	E	-2.0626
78	V	E	-2.1473
79	N	E	-2.5398
80	G	E	-2.0797
81	E	E	-2.5705
82	E	E	-2.1544
83	V	E	0.0000
84	L	E	0.0000
85	L	E	0.0000
86	L	E	0.0000
87	P	E	-0.6592
88	E	E	-0.7469
89	S	E	-0.5815
90	S	E	0.0000
91	V	E	0.0000
92	L	E	-0.1115
93	A	E	0.0000
94	K	E	-0.8763
95	W	E	0.0000
96	V	E	-1.6454
97	K	E	-2.5681
1	E	F	-3.2513
2	R	F	-2.9271
3	L	F	0.0000
4	R	F	-1.1934
5	P	F	0.0000
6	L	F	0.0000
7	G	F	-1.0623
8	G	F	-1.1344
9	T	F	-0.5593
10	I	F	0.0000
11	A	F	0.0000
12	V	F	0.0000
13	R	F	-0.8988
14	L	F	-0.6350
15	L	F	-0.7365
16	E	F	-1.7896
17	P	F	-1.0361
18	V	F	-0.8209
19	P	F	-1.1173
20	P	F	-1.0950
21	G	F	-1.5637
22	R	F	-2.4025
23	G	F	-2.1556
24	G	F	-1.6576
25	R	F	-1.6262
26	L	F	-1.0387
27	L	F	-0.5425
28	L	F	-0.5362
29	G	F	-1.5150
30	K	F	-1.9452
31	I	F	-1.3026
32	G	F	-1.8379
33	E	F	-2.7891
34	E	F	-2.1509
35	S	F	0.0000
36	R	F	-1.2391
37	E	F	-0.8496
38	A	F	0.0000
39	V	F	-0.3152
40	V	F	0.0000
41	L	F	-0.2059
42	E	F	-0.7861
43	V	F	-0.6082
44	G	F	0.0000
45	P	F	-0.6936
46	G	F	0.0000
47	R	F	-2.3578
48	R	F	-1.9708
49	D	F	-2.3211
50	R	F	-2.6125
51	G	F	-2.4792
52	E	F	-2.7337
53	G	F	-1.7470
54	V	F	-1.0004
55	E	F	-1.8022
56	P	F	-0.9810
57	S	F	-1.2769
58	D	F	-1.6214
59	L	F	0.0000
60	E	F	-2.2691
61	P	F	-1.1980
62	G	F	-1.1266
63	D	F	-1.2474
64	R	F	-0.8218
65	V	F	0.0000
66	L	F	0.0000
67	L	F	0.0000
68	R	F	-1.2317
69	L	F	-1.3813
70	D	F	-1.8038
71	E	F	-2.7287
72	R	F	-1.9468
73	V	F	0.0000
74	E	F	0.0000
75	R	F	-1.1747
76	V	F	0.0000
77	R	F	-2.1914
78	V	F	-2.3237
79	N	F	-2.6725
80	G	F	-2.1532
81	E	F	-2.7232
82	E	F	-2.4847
83	V	F	0.0000
84	L	F	0.0000
85	L	F	0.0000
86	L	F	0.0000
87	P	F	-0.6512
88	E	F	-0.7503
89	S	F	-0.5883
90	S	F	0.0000
91	V	F	0.0000
92	L	F	-0.1380
93	A	F	0.0000
94	K	F	-0.9785
95	W	F	0.0000
96	V	F	-1.6194
97	K	F	-2.5960
1	E	G	-3.0636
2	R	G	-2.9497
3	L	G	0.0000
4	R	G	-1.0852
5	P	G	0.0000
6	L	G	0.0000
7	G	G	-1.0730
8	G	G	-1.1070
9	T	G	-0.5406
10	I	G	0.0000
11	A	G	0.0000
12	V	G	0.0000
13	R	G	-0.7664
14	L	G	-0.6434
15	L	G	-0.9154
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30	K	G	-2.1269
31	I	G	-1.5039
32	G	G	-1.9408
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34	E	G	-2.4552
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48	R	G	-2.0119
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62	G	G	-1.3976
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72	R	G	-1.9155
73	V	G	0.0000
74	E	G	0.0000
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78	V	G	-2.0983
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80	G	G	-1.9559
81	E	G	-2.2389
82	E	G	-1.6966
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85	L	G	0.0000
86	L	G	0.0000
87	P	G	-0.6617
88	E	G	-0.7410
89	S	G	-0.5903
90	S	G	0.0000
91	V	G	0.0000
92	L	G	-0.1180
93	A	G	0.0000
94	K	G	-1.2232
95	W	G	0.0000
96	V	G	-1.8392
97	K	G	-2.6252