Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; C: MLPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; B: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTTGG; E: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; D: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; G: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; F: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; I: LPAPKNLVVSEVTEDSLRLSWTAPDAFDSFLIQYQESAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; H: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTT; J: LPAPKNLVVSEVTEDSLRLSWTAPDAAFDSFLIQYQESEKVEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAEFTTGG
Selected Chain(s)	A,C,B,E,D,G,F,I,H,J
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:22:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:22:44)

• Minimal score value: -3.7509
• Maximal score value: 1.5207
• Average score: -0.9494
• Total score value: -838.3499

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
2	L	A	0.7139
3	P	A	-0.1161
4	A	A	-0.7000
5	P	A	0.0000
6	K	A	-1.9472
7	N	A	-1.3984
8	L	A	0.0000
9	V	A	-0.0722
10	V	A	0.0000
11	S	A	-0.4173
12	E	A	-1.2507
13	V	A	-1.4460
14	T	A	-1.8536
15	E	A	-2.9339
16	D	A	-3.2521
17	S	A	0.0000
18	L	A	-1.4675
19	R	A	-0.7406
20	L	A	0.0000
21	S	A	-0.1221
22	W	A	0.0000
23	T	A	-1.2521
24	A	A	-1.3687
25	P	A	-1.2815
26	D	A	-1.9015
27	A	A	-1.3426
28	A	A	-1.0313
29	F	A	0.0000
30	D	A	-2.2795
31	S	A	-1.7673
32	F	A	0.0000
33	L	A	-0.4509
34	I	A	0.0000
35	Q	A	-0.4529
36	Y	A	0.0000
37	Q	A	-2.2670
38	E	A	-2.9174
39	S	A	-2.6356
40	E	A	-3.3064
41	K	A	-3.2764
44	E	A	-2.7234
45	A	A	-1.4869
46	I	A	-0.6328
47	N	A	-0.6677
48	L	A	0.0000
49	T	A	-0.7390
50	V	A	0.0000
51	P	A	-1.4285
52	G	A	-1.7866
53	S	A	-1.6328
54	E	A	-1.4650
55	R	A	-0.9919
56	S	A	-0.5239
57	Y	A	0.0000
58	D	A	-0.8059
59	L	A	0.0000
60	T	A	0.0000
61	G	A	-1.4881
62	L	A	-1.8149
63	K	A	-2.6313
64	P	A	-1.9778
65	G	A	-1.3363
66	T	A	-1.6180
67	E	A	-2.8397
68	Y	A	0.0000
69	T	A	-1.7640
70	V	A	0.0000
71	S	A	-0.6074
72	I	A	0.0000
73	Y	A	-0.8137
74	G	A	0.0000
75	V	A	0.0000
76	K	A	-2.2597
77	G	A	-2.1545
78	G	A	0.0000
79	H	A	-2.1113
80	R	A	-2.1619
81	S	A	-1.1153
82	N	A	-1.4007
83	P	A	-1.1177
84	L	A	-0.8112
85	S	A	-0.8669
86	A	A	-0.5889
87	E	A	-2.2630
88	F	A	0.0000
89	T	A	-1.4045
90	T	A	-1.4614
2	L	B	0.7593
3	P	B	-0.1441
4	A	B	-0.8154
5	P	B	0.0000
6	K	B	-2.1110
7	N	B	-1.4412
8	L	B	0.0449
9	V	B	1.5073
10	V	B	0.6151
11	S	B	-0.3904
12	E	B	-2.1171
13	V	B	-1.5593
14	T	B	-2.0315
15	E	B	-2.3494
16	D	B	-2.3336
17	S	B	0.0000
18	L	B	-0.9885
19	R	B	-0.9857
20	L	B	0.0000
21	S	B	-0.5114
22	W	B	0.0000
23	T	B	-1.1418
24	A	B	-1.2014
25	P	B	-1.2804
26	D	B	-1.8915
27	A	B	-1.4205
28	A	B	-1.1058
29	F	B	0.0000
30	D	B	-2.4684
31	S	B	-1.6908
32	F	B	0.0000
33	L	B	0.0000
34	I	B	0.0000
35	Q	B	-0.4846
36	Y	B	0.0000
37	Q	B	-1.4157
38	E	B	-2.2916
39	S	B	-2.0335
40	E	B	-2.5069
41	K	B	-1.9884
42	V	B	-0.1564
43	G	B	-0.7457
44	E	B	-1.9918
45	A	B	-1.0276
46	I	B	-0.6299
47	N	B	-0.7577
48	L	B	0.0000
49	T	B	-0.1811
50	V	B	0.0000
51	P	B	-1.3945
52	G	B	-1.8714
53	S	B	-1.6024
54	E	B	-1.3521
55	R	B	-0.9298
56	S	B	-0.8226
57	Y	B	0.0000
58	D	B	0.0000
59	L	B	0.0000
60	T	B	0.0000
61	G	B	-1.0589
62	L	B	-1.3983
63	K	B	-2.4263
64	P	B	-2.1210
65	G	B	-1.5766
66	T	B	0.0000
67	E	B	-2.7756
68	Y	B	0.0000
69	T	B	-1.3432
70	V	B	0.0000
71	S	B	-0.5856
72	I	B	0.0000
73	Y	B	-0.5433
74	G	B	0.0000
75	V	B	0.0000
76	K	B	-2.2179
77	G	B	-1.7789
78	G	B	0.0000
79	H	B	-1.1754
80	R	B	-1.3439
81	S	B	0.0000
82	N	B	-1.5139
83	P	B	-1.0948
84	L	B	0.0000
85	S	B	-0.8475
86	A	B	0.0000
87	E	B	-1.9474
88	F	B	0.0000
89	T	B	-1.6372
90	T	B	-1.5003
91	G	B	-1.8269
92	G	B	-1.7518
1	M	C	0.7306
2	L	C	0.1718
3	P	C	-0.4628
4	A	C	-0.8520
5	P	C	0.0000
6	K	C	-2.0633
7	N	C	-1.4502
8	L	C	0.0449
9	V	C	1.5207
10	V	C	0.7442
11	S	C	-0.5794
12	E	C	-2.4144
13	V	C	-1.7831
14	T	C	-2.0905
15	E	C	-3.1248
16	D	C	-3.4411
17	S	C	0.0000
18	L	C	0.0000
19	R	C	-0.9594
20	L	C	0.0000
21	S	C	-0.1709
22	W	C	0.0000
23	T	C	-0.9213
24	A	C	-1.1234
25	P	C	-1.2328
26	D	C	-2.1685
27	A	C	-1.4236
28	A	C	-1.1591
29	F	C	0.0000
30	D	C	-2.5754
31	S	C	-1.4046
32	F	C	0.0000
33	L	C	0.0000
34	I	C	0.0000
35	Q	C	-0.4448
36	Y	C	0.0000
37	Q	C	-1.0843
38	E	C	-1.7216
39	S	C	-1.5567
40	E	C	-2.3837
41	K	C	-1.8886
42	V	C	-0.0652
43	G	C	-0.6611
44	E	C	-1.6009
45	A	C	-0.8981
46	I	C	-0.5602
47	N	C	-0.7086
48	L	C	0.0000
49	T	C	-0.3495
50	V	C	0.0000
51	P	C	-1.1624
52	G	C	-1.7629
53	S	C	-1.5274
54	E	C	-1.5168
55	R	C	-0.8526
56	S	C	-0.4840
57	Y	C	-0.4141
58	D	C	0.0000
59	L	C	0.0000
60	T	C	0.0000
61	G	C	-1.5610
62	L	C	-1.6410
63	K	C	-2.2367
64	P	C	-1.8075
65	G	C	-1.2681
66	T	C	-1.2303
67	E	C	-1.4674
68	Y	C	0.0000
69	T	C	-0.8509
70	V	C	0.0000
71	S	C	-0.4072
72	I	C	0.0000
73	Y	C	-0.5255
74	G	C	0.0000
75	V	C	0.0000
76	K	C	-1.9981
77	G	C	-1.6326
78	G	C	-1.4100
79	H	C	0.0000
80	R	C	-0.8167
81	S	C	0.0000
82	N	C	-1.1369
83	P	C	-0.8575
84	L	C	0.0000
85	S	C	-0.7162
86	A	C	0.0000
87	E	C	-0.5382
88	F	C	0.0000
89	T	C	-0.9895
90	T	C	-1.4497
2	L	D	0.5465
3	P	D	-0.0921
4	A	D	-0.5140
5	P	D	0.0000
6	K	D	-1.3217
7	N	D	-1.1164
8	L	D	0.0000
9	V	D	1.2151
10	V	D	0.2054
11	S	D	-0.7719
12	E	D	-2.3822
13	V	D	-1.5727
14	T	D	-1.6435
15	E	D	-2.2602
16	D	D	-3.0825
17	S	D	0.0000
18	L	D	0.0000
19	R	D	-0.9665
20	L	D	0.0000
21	S	D	-0.1705
22	W	D	0.0000
23	T	D	-1.2133
24	A	D	-1.3703
25	P	D	-1.3090
26	D	D	-2.1331
27	A	D	-1.3827
28	A	D	-1.1177
29	F	D	0.0000
30	D	D	-2.2347
31	S	D	-1.2044
32	F	D	0.0000
33	L	D	0.0000
34	I	D	0.0000
35	Q	D	-0.5095
36	Y	D	0.0000
37	Q	D	-1.1074
38	E	D	-1.6367
39	S	D	-1.2793
41	K	D	-1.3234
42	V	D	0.3433
43	G	D	-0.3904
44	E	D	-1.0443
45	A	D	-0.5897
46	I	D	-0.4099
47	N	D	-0.7046
48	L	D	0.0000
49	T	D	-0.2372
50	V	D	0.0000
51	P	D	-1.1969
52	G	D	-1.4840
53	S	D	-1.2806
54	E	D	-1.1904
55	R	D	-0.9819
56	S	D	-0.4436
57	Y	D	-0.4984
58	D	D	-0.9420
59	L	D	0.0000
60	T	D	0.0000
61	G	D	-1.1348
62	L	D	-1.4453
63	K	D	-2.3410
64	P	D	-1.7446
65	G	D	-1.1824
66	T	D	-1.2509
67	E	D	-1.9078
68	Y	D	0.0000
69	T	D	-1.3189
70	V	D	0.0000
71	S	D	-0.6451
72	I	D	0.0000
73	Y	D	-0.4443
74	G	D	0.0000
75	V	D	-1.1053
76	K	D	-1.6446
77	G	D	-1.5244
78	G	D	-1.4246
79	H	D	-1.3015
80	R	D	-1.0830
81	S	D	0.0000
82	N	D	-1.1471
83	P	D	-0.9199
84	L	D	-0.7435
85	S	D	-0.8379
86	A	D	-0.6558
87	E	D	-2.0919
88	F	D	-0.7378
89	T	D	-0.8787
90	T	D	-1.4419
2	L	E	0.1614
3	P	E	-0.4083
4	A	E	-0.9412
5	P	E	0.0000
6	K	E	-2.3001
7	N	E	-1.5487
8	L	E	-0.1088
9	V	E	1.0391
10	V	E	0.4611
11	S	E	-0.4666
12	E	E	-2.2592
13	V	E	-1.7138
14	T	E	-2.3473
15	E	E	-3.4373
16	D	E	-3.7509
17	S	E	0.0000
18	L	E	0.0000
19	R	E	-1.1514
20	L	E	0.0000
21	S	E	-0.2151
22	W	E	0.0000
23	T	E	-1.1815
24	A	E	-1.3349
25	P	E	-1.2860
26	D	E	-2.0070
27	A	E	-1.5565
28	A	E	-1.2070
29	F	E	0.0000
30	D	E	-2.4691
31	S	E	-1.5395
32	F	E	0.0000
33	L	E	-0.1334
34	I	E	0.0000
35	Q	E	-0.2541
36	Y	E	0.0000
37	Q	E	-1.1070
38	E	E	-1.8517
39	S	E	-2.0510
40	E	E	-3.0157
41	K	E	-2.2242
42	V	E	-1.0644
43	G	E	0.0000
44	E	E	-1.0077
45	A	E	0.0000
46	I	E	-0.1734
47	N	E	-0.2873
48	L	E	0.0000
49	T	E	-0.1459
50	V	E	0.0000
51	P	E	-1.1410
52	G	E	-1.7097
53	S	E	-1.4096
54	E	E	-1.1294
55	R	E	-0.9671
56	S	E	-0.5010
57	Y	E	0.0000
58	D	E	0.0000
59	L	E	0.0000
60	T	E	0.0000
61	G	E	-1.4904
62	L	E	-1.4373
63	K	E	-2.0132
64	P	E	-1.5668
65	G	E	-1.2507
66	T	E	0.0000
67	E	E	-1.9321
68	Y	E	0.0000
69	T	E	-1.4041
70	V	E	0.0000
71	S	E	-0.5273
72	I	E	0.0000
73	Y	E	-0.8110
74	G	E	0.0000
75	V	E	-2.1413
76	K	E	-2.8873
77	G	E	-2.3284
78	G	E	-2.2126
79	H	E	-2.3914
80	R	E	-2.7362
81	S	E	0.0000
82	N	E	-1.4690
83	P	E	-1.2195
84	L	E	-0.8222
85	S	E	-0.8657
86	A	E	-0.6604
87	E	E	-1.9772
88	F	E	0.0000
89	T	E	-0.9560
90	T	E	-1.2719
2	L	F	0.1249
3	P	F	-0.4281
4	A	F	-0.9831
5	P	F	0.0000
6	K	F	-2.1113
7	N	F	-1.4772
8	L	F	0.0132
9	V	F	1.3712
10	V	F	0.3418
11	S	F	-0.5978
12	E	F	-2.4471
13	V	F	-2.0482
14	T	F	-2.5457
15	E	F	-3.5504
16	D	F	-3.5021
17	S	F	0.0000
18	L	F	-1.3203
19	R	F	-0.7532
20	L	F	0.0000
21	S	F	-0.0409
22	W	F	0.0000
23	T	F	-1.1325
24	A	F	0.0000
25	P	F	-1.3604
26	D	F	-2.0474
27	A	F	-1.3787
28	A	F	-1.1438
29	F	F	0.0000
30	D	F	-2.9267
31	S	F	-1.6080
32	F	F	0.0000
33	L	F	-0.1664
34	I	F	0.0000
35	Q	F	-0.4134
36	Y	F	0.0000
37	Q	F	-1.4541
38	E	F	-2.0425
39	S	F	-2.0536
40	E	F	-2.4268
41	K	F	-1.8847
42	V	F	-0.1356
43	G	F	-0.8846
44	E	F	-1.7993
45	A	F	-0.8680
46	I	F	-0.5519
47	N	F	-0.4549
48	L	F	0.0000
49	T	F	-0.2736
50	V	F	0.0000
51	P	F	-0.9477
52	G	F	-1.6111
53	S	F	-1.4151
54	E	F	-1.4039
55	R	F	-1.0789
56	S	F	-0.5305
57	Y	F	0.0000
58	D	F	0.0000
59	L	F	0.0000
60	T	F	0.0000
61	G	F	-1.4784
62	L	F	-1.4176
63	K	F	-2.2217
64	P	F	-1.5612
65	G	F	-1.3547
66	T	F	-1.6107
67	E	F	-2.6846
68	Y	F	0.0000
69	T	F	-1.5174
70	V	F	0.0000
71	S	F	-0.6077
72	I	F	0.0000
73	Y	F	-0.6842
74	G	F	0.0000
75	V	F	-2.0443
76	K	F	-2.6921
77	G	F	-2.1362
78	G	F	-1.9867
79	H	F	-2.5825
80	R	F	-2.8324
81	S	F	0.0000
82	N	F	-1.7441
83	P	F	-1.2571
84	L	F	-0.8124
85	S	F	-0.8676
86	A	F	-0.6572
87	E	F	-2.1331
88	F	F	-1.1645
89	T	F	-1.4232
90	T	F	-1.5183
2	L	G	0.4699
3	P	G	-0.2446
4	A	G	-0.8945
5	P	G	0.0000
6	K	G	-2.2253
7	N	G	-1.5922
8	L	G	0.0000
9	V	G	0.9241
10	V	G	0.0000
11	S	G	-0.5379
12	E	G	-1.7621
13	V	G	-1.3125
14	T	G	-1.6535
15	E	G	0.0000
16	D	G	-2.5704
17	S	G	0.0000
18	L	G	0.0000
19	R	G	-0.9531
20	L	G	0.0000
21	S	G	-0.1573
22	W	G	0.0000
23	T	G	-1.1717
24	A	G	-1.3864
25	P	G	-1.3346
26	D	G	-2.1404
27	A	G	-1.4068
28	A	G	-1.3071
29	F	G	0.0000
30	D	G	-2.6523
31	S	G	-1.4789
32	F	G	0.0000
33	L	G	-0.0887
34	I	G	0.0000
35	Q	G	-0.5986
36	Y	G	0.0000
37	Q	G	-1.1218
38	E	G	-1.0702
39	S	G	-0.5149
42	V	G	0.7767
43	G	G	-0.5516
44	E	G	-1.6925
45	A	G	-1.0364
46	I	G	-0.9745
47	N	G	-1.1519
48	L	G	0.0000
49	T	G	-0.4652
50	V	G	0.0000
51	P	G	-1.1813
52	G	G	-1.6555
53	S	G	-1.4812
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