Project name: 4n6v

Chain sequence(s)	1: ATQPATAETQHIADQVRRSQLEEKENKKKFFPPVVFKAVSFKSQVVAGTNYFIKVHVGDEDFVVHLRVFQSLPHENKPLTTLSNYQTNKAKHDELTYF; 0: AATTQQPPAATTAAEETTQQHHIIAADDQQVVRRSSQQLLEEEEKKEENNKKKKFFPPVVFFKKAAVVSSFFKKSSQQVVVVAAGGTTNNYYFFIIKKVVHHVVGGDDEEDDFFVVHHLLRRVVFFQQSSLLPPHHEENNKKPPLLTTLLSSNNYYQQTTNNKKAAKKHHDDEELLTTYYFF; 3: ATQPATAETQHIADQVRSQLEEKENKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDDFVHLRRVFQSLPHENKPLTTLSNYQTNKAKHDELTYF; 2: ATQPATAETQHIADQVRRSQLEEKENKKKFFPPVVFKAVVSFKSQVVAGTNYFIKVHVGDEDFVVHLRVFQSLPHENKPLTLSNYQTNKAKHDELTYF; 5: AATTQQPPAATTAAEETTQQHHIIAADDQQVVRRSSQQLLEEEEKKEENNKKKKFFPPVVFFKKAAVVSSFFKKSSQQVVVVAAGGTTNNYYFFIIKKVVHHVVGGDDEEDDFFVVHHLLRRVVFFQQSSLLPPHHEENNKKPPLLTTLLSSNNYYQQTTNNKKAAKKHHDDEELLTTYYFF; 4: ATTQPATAETQHIADQVRSQLEEKENKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDFVHLRVFQSLPHENKPLTLSNYQTNKAKHDELTYF; 7: ATQPATAETQHIADQVRSQLEEKENKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDDFVHLRRVFQSLPHENKPLTTLSSNYQTNKAKHDELTYF; 6: ATTQPATAETQHIADQVRSQLEEKENKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDFVVHLRVFQSLPHENKPLTLSNYQTNKAKHDELTYF; 9: ATQPATAETQHIADQVRRSQLEEKENKKKFFPPVVFKAVSFKSQVVAGTNYFIKVHVGDEDFVVHLRVFQSLPHENKPLTTLSNYQTNKAKHDELTYF; 8: ATQPATAETQHIADQVRRSQLEEKENKKKFFPPVVFKAVSFKSQVVAGTNYFIKVHVGDEDFVVHLRVFQSLPHENKPLTTLSNYQTNKAKHDELTYF
Selected Chain(s)	1,0,3,2,5,4,7,6,9,8
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                                          (00:16:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:53)

• Minimal score value: -4.6689
• Maximal score value: 2.7002
• Average score: -0.9864
• Total score value: -897.6105

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
8	A	2	-0.3448
9	T	2	-0.9439
10	Q	2	-1.2286
11	P	2	-0.6494
12	A	2	-0.6944
13	T	2	-0.8799
14	A	2	-1.1385
15	E	2	-2.2883
16	T	2	0.0000
17	Q	2	-1.7936
18	H	2	-2.4232
19	I	2	-1.5982
20	A	2	0.0000
21	D	2	-2.7174
22	Q	2	-2.2490
23	V	2	0.0000
24	R	2	-2.3478
25	S	2	-2.4413
26	Q	2	-2.2472
27	L	2	0.0000
28	E	2	0.0000
29	E	2	-3.9680
30	K	2	-3.5896
31	E	2	-3.0002
32	N	2	-3.6218
33	K	2	-3.5232
34	K	2	-2.7456
35	F	2	-0.7953
36	P	2	-0.8544
37	V	2	-0.3449
38	F	2	-0.5772
39	K	2	-1.1069
40	A	2	0.0000
41	V	2	-0.1697
42	S	2	-0.3547
43	F	2	-0.2418
44	K	2	-0.4635
45	S	2	0.2929
46	Q	2	1.1302
47	V	2	2.4018
48	V	2	2.5389
49	A	2	1.3615
50	G	2	0.0000
51	T	2	1.3321
52	N	2	0.0000
53	Y	2	0.3771
54	F	2	0.0000
55	I	2	0.0000
56	K	2	0.0000
57	V	2	0.0000
58	H	2	-1.5447
59	V	2	0.0000
60	G	2	-1.7092
61	D	2	-2.9456
62	E	2	-3.7664
63	D	2	-2.8023
64	F	2	0.0000
65	V	2	0.0000
66	H	2	0.0000
67	L	2	0.0000
68	R	2	-0.2877
69	V	2	0.0000
70	F	2	0.3315
71	Q	2	-0.0184
72	S	2	-0.8203
73	L	2	-0.5527
74	P	2	-1.6123
75	H	2	-2.1319
76	E	2	-2.7155
77	N	2	-3.0247
78	K	2	-2.8318
79	P	2	-1.6108
80	L	2	-0.6560
81	T	2	-0.4732
82	L	2	-0.4398
83	S	2	-0.4184
84	N	2	-0.6421
85	Y	2	0.0000
86	Q	2	-0.4742
87	T	2	-0.5556
88	N	2	-1.2023
89	K	2	-1.9027
90	A	2	-2.7172
91	K	2	-3.3165
92	H	2	-2.8475
93	D	2	-2.6880
94	E	2	-2.5900
95	L	2	0.0000
96	T	2	-0.0875
97	Y	2	0.9602
98	F	2	0.8324
8	A	1	-0.3871
9	T	1	-0.9636
10	Q	1	-1.2739
11	P	1	-0.6639
12	A	1	-0.5969
13	T	1	-0.4789
14	A	1	-0.5552
15	E	1	-1.2479
16	T	1	0.0000
17	Q	1	-1.3946
18	H	1	-1.6880
19	I	1	0.0000
20	A	1	0.0000
21	D	1	-2.5874
22	Q	1	-1.5872
23	V	1	0.0000
24	R	1	-1.9413
25	S	1	-2.1601
26	Q	1	0.0000
27	L	1	0.0000
28	E	1	-2.9001
29	E	1	-3.1391
30	K	1	-3.0844
31	E	1	-2.8041
32	N	1	-3.3765
33	K	1	-3.4879
34	K	1	-2.7738
35	F	1	0.0000
36	P	1	-0.6238
37	V	1	0.0546
38	F	1	0.0000
39	K	1	-1.4515
40	A	1	0.0000
41	V	1	-0.2206
42	S	1	-0.4025
43	F	1	-0.3349
44	K	1	-0.5364
45	S	1	0.2033
46	Q	1	1.0469
47	V	1	2.3191
48	V	1	2.2109
49	A	1	1.1815
50	G	1	0.0000
51	T	1	1.1979
52	N	1	0.0000
53	Y	1	0.3237
54	F	1	0.0000
55	I	1	0.0000
56	K	1	0.0000
57	V	1	0.0000
58	H	1	-1.6021
59	V	1	0.0000
60	G	1	-1.7444
61	D	1	-2.9039
62	E	1	-3.7152
63	D	1	-2.9849
64	F	1	0.0000
65	V	1	0.0000
66	H	1	0.0000
67	L	1	0.0000
68	R	1	-0.3242
69	V	1	0.0000
70	F	1	0.5388
71	Q	1	-0.1381
72	S	1	-1.0477
73	L	1	-1.1780
74	P	1	-1.8154
75	H	1	-2.4804
76	E	1	-3.1721
77	N	1	-3.3843
78	K	1	-3.5808
79	P	1	0.0000
80	L	1	-0.7860
81	T	1	-0.4591
82	L	1	-0.2358
83	S	1	-0.3624
84	N	1	-0.6600
85	Y	1	0.0000
86	Q	1	-0.5018
87	T	1	-0.5259
88	N	1	-1.2321
89	K	1	-1.8412
90	A	1	-2.6860
91	K	1	-3.2459
92	H	1	-2.8963
93	D	1	-2.8913
94	E	1	-2.7020
95	L	1	0.0000
96	T	1	-0.2005
97	Y	1	0.8036
98	F	1	0.7005
8	A	9	-0.2529
9	T	9	-0.8511
10	Q	9	-1.0011
11	P	9	-0.5471
12	A	9	-0.4093
13	T	9	-0.5679
14	A	9	-0.9056
15	E	9	-1.1976
16	T	9	0.0000
17	Q	9	-1.5914
18	H	9	-2.2138
19	I	9	0.0000
20	A	9	0.0000
21	D	9	-2.8210
22	Q	9	-1.8979
23	V	9	0.0000
24	R	9	-1.9625
25	S	9	-2.0615
26	Q	9	0.0000
27	L	9	0.0000
28	E	9	-2.5958
29	E	9	-2.6634
30	K	9	-2.8222
31	E	9	-2.5850
32	N	9	-3.1112
33	K	9	-3.2191
34	K	9	-2.6514
35	F	9	0.0000
36	P	9	-0.6428
37	V	9	0.0469
38	F	9	0.0000
39	K	9	-1.1289
40	A	9	0.0000
41	V	9	-0.0696
42	S	9	-0.2554
43	F	9	-0.2922
44	K	9	-0.5319
45	S	9	0.1675
46	Q	9	0.9331
47	V	9	2.2321
48	V	9	2.1367
49	A	9	1.1318
50	G	9	0.8424
51	T	9	1.1000
52	N	9	0.0000
53	Y	9	0.0000
54	F	9	0.0000
55	I	9	0.0000
56	K	9	0.0000
57	V	9	0.0000
58	H	9	-1.4714
59	V	9	0.0000
60	G	9	-1.7005
61	D	9	-2.9078
62	E	9	-3.7130
63	D	9	-2.7954
64	F	9	0.0000
65	V	9	0.0000
66	H	9	0.0000
67	L	9	0.0000
68	R	9	-0.3920
69	V	9	0.0000
70	F	9	0.4668
71	Q	9	-0.1571
72	S	9	-0.7241
73	L	9	-0.5773
74	P	9	-1.2584
75	H	9	-1.9478
76	E	9	-2.5017
77	N	9	-3.4386
78	K	9	-2.9145
79	P	9	0.0000
80	L	9	-0.7211
81	T	9	-0.3529
82	L	9	-0.2772
83	S	9	-0.3795
84	N	9	-0.5910
85	Y	9	0.0000
86	Q	9	-0.4882
87	T	9	-0.5247
88	N	9	-1.2222
89	K	9	-1.9008
90	A	9	-2.7407
91	K	9	-3.3354
92	H	9	-2.9308
93	D	9	-2.8745
94	E	9	-2.7106
95	L	9	0.0000
96	T	9	-0.1717
97	Y	9	0.7435
98	F	9	0.7405
8	A	8	-0.2830
9	T	8	-0.8925
10	Q	8	-1.1553
11	P	8	-0.6259
12	A	8	-0.7195
13	T	8	-0.8744
14	A	8	-1.1505
15	E	8	-2.3310
16	T	8	0.0000
17	Q	8	-1.9869
18	H	8	-2.5452
19	I	8	-1.6833
20	A	8	0.0000
21	D	8	-3.0927
22	Q	8	-2.3824
23	V	8	0.0000
24	R	8	-2.4074
25	S	8	-2.3142
26	Q	8	-2.2641
27	L	8	0.0000
28	E	8	-3.1225
29	E	8	-3.8830
30	K	8	-3.4235
31	E	8	-2.8295
32	N	8	-3.3330
33	K	8	-3.1269
34	K	8	-2.5894
35	F	8	-0.7930
36	P	8	-0.8757
37	V	8	-0.4773
38	F	8	0.0000
39	K	8	-1.4113
40	A	8	0.0000
41	V	8	-0.2499
42	S	8	-0.3780
43	F	8	-0.2320
44	K	8	-0.4570
45	S	8	0.2812
46	Q	8	1.0798
47	V	8	2.3750
48	V	8	2.5100
49	A	8	1.3237
50	G	8	1.0245
51	T	8	1.2670
52	N	8	0.0000
53	Y	8	0.3367
54	F	8	0.0000
55	I	8	0.0000
56	K	8	0.0000
57	V	8	0.0000
58	H	8	-1.6487
59	V	8	0.0000
60	G	8	-1.8177
61	D	8	-2.9835
62	E	8	-3.7447
63	D	8	-2.8689
64	F	8	0.0000
65	V	8	0.0000
66	H	8	0.0000
67	L	8	0.0000
68	R	8	-0.3500
69	V	8	0.0000
70	F	8	0.2897
71	Q	8	-0.1484
72	S	8	0.0000
73	L	8	-0.6147
74	P	8	-1.5615
75	H	8	-2.1105
76	E	8	-2.6828
77	N	8	-2.9825
78	K	8	-2.8162
79	P	8	-1.5829
80	L	8	-0.6352
81	T	8	-0.4693
82	L	8	-0.4203
83	S	8	-0.4317
84	N	8	-0.6589
85	Y	8	0.0000
86	Q	8	-0.5045
87	T	8	-0.5567
88	N	8	-1.1774
89	K	8	-1.9206
90	A	8	-2.5342
91	K	8	-3.1927
92	H	8	-2.9161
93	D	8	-3.0196
94	E	8	-2.7682
95	L	8	0.0000
96	T	8	-0.2342
97	Y	8	0.8445
98	F	8	0.7643
8	A	7	-0.1421
9	T	7	-0.5852
10	Q	7	-0.4528
11	P	7	-0.3745
12	A	7	-0.6336
13	T	7	0.0000
14	A	7	-1.0641
15	E	7	-2.4009
16	T	7	0.0000
17	Q	7	-2.1351
18	H	7	-2.6210
19	I	7	0.0000
20	A	7	0.0000
21	D	7	-3.0526
22	Q	7	-2.3918
23	V	7	0.0000
24	R	7	-2.2905
25	S	7	-2.4493
26	Q	7	-2.2491
27	L	7	0.0000
28	E	7	-3.4346
29	E	7	-4.0976
30	K	7	-3.6223
31	E	7	-3.2032
32	N	7	-3.7420
33	K	7	-3.6761
34	K	7	-3.0472
35	F	7	0.0000
36	P	7	-1.3538
37	V	7	-1.2214
38	F	7	0.0000
39	K	7	-1.7583
40	A	7	-1.0032
41	V	7	0.0963
42	S	7	-0.1945
43	F	7	0.0142
44	K	7	-0.3199
45	S	7	0.2961
46	Q	7	0.8474
47	V	7	2.2196
48	V	7	2.1760
49	A	7	1.1465
50	G	7	0.8585
51	T	7	1.0695
52	N	7	0.5463
53	Y	7	0.2145
54	F	7	0.0000
55	I	7	0.0000
56	K	7	0.0000
57	V	7	0.0000
58	H	7	-1.8135
59	V	7	0.0000
60	G	7	-2.0021
61	D	7	-2.9814
62	E	7	-3.8290
63	D	7	-3.0674
64	F	7	0.0000
65	V	7	0.0000
66	H	7	0.0000
67	L	7	0.0000
68	R	7	-0.4593
69	V	7	0.0000
70	F	7	0.2943
71	Q	7	-0.3361
72	S	7	-0.9874
73	L	7	-0.7625
74	P	7	-1.5817
75	H	7	-2.0861
76	E	7	-2.6019
77	N	7	-2.9765
78	K	7	-2.7841
79	P	7	-1.5915
80	L	7	-0.7918
81	T	7	-0.6033
82	L	7	0.0000
83	S	7	-0.4816
84	N	7	-0.8175
85	Y	7	-0.4491
86	Q	7	-0.9130
87	T	7	-1.1314
88	N	7	-2.0140
89	K	7	-2.5992
90	A	7	-2.9869
91	K	7	-3.1955
92	H	7	-2.8907
93	D	7	-2.8982
94	E	7	-2.7402
95	L	7	0.0000
96	T	7	-0.1703
97	Y	7	0.6963
98	F	7	0.6978
8	A	6	-0.2817
9	T	6	-0.8498
10	Q	6	-1.0212
11	P	6	-0.6279
12	A	6	-0.7902
13	T	6	0.0000
14	A	6	-1.0514
15	E	6	-2.3233
16	T	6	0.0000
17	Q	6	-1.9227
18	H	6	-2.2733
19	I	6	-1.3586
20	A	6	0.0000
21	D	6	-2.3378
22	Q	6	-1.6047
23	V	6	0.0000
24	R	6	-1.3762
25	S	6	-1.7396
26	Q	6	-1.6570
27	L	6	0.0000
28	E	6	0.0000
29	E	6	-3.1762
30	K	6	-2.6922
31	E	6	-2.4482
32	N	6	-3.1025
33	K	6	-2.4001
34	K	6	-1.5818
35	F	6	0.0000
36	P	6	-0.9955
37	V	6	-0.7702
38	F	6	0.0000
39	K	6	-1.6644
40	A	6	-0.9310
41	V	6	-0.0524
42	S	6	-0.3914
43	F	6	-0.1558
44	K	6	-0.4656
45	S	6	0.2378
46	Q	6	0.8032
47	V	6	2.1247
48	V	6	2.0325
49	A	6	1.1397
50	G	6	0.9758
51	T	6	1.1532
52	N	6	0.0000
53	Y	6	0.3279
54	F	6	0.0000
55	I	6	0.0000
56	K	6	0.0000
57	V	6	0.0000
58	H	6	-1.6968
59	V	6	-1.4090
60	G	6	-2.0078
61	D	6	-2.9304
62	E	6	-3.8058
63	D	6	-3.0282
64	F	6	0.0000
65	V	6	0.0000
66	H	6	0.0000
67	L	6	0.0000
68	R	6	-0.1523
69	V	6	0.0000
70	F	6	0.7895
71	Q	6	-0.0903
72	S	6	-0.6984
73	L	6	-0.3759
74	P	6	-1.3306
75	H	6	-1.8605
76	E	6	-2.2170
77	N	6	-2.7372
78	K	6	-2.7422
79	P	6	-1.4648
80	L	6	-0.6566
81	T	6	-0.3172
82	L	6	-0.1226
83	S	6	-0.3665
84	N	6	0.0000
85	Y	6	0.0000
86	Q	6	-0.7634
87	T	6	-1.0046
88	N	6	-1.9791
89	K	6	-2.4471
90	A	6	-2.9048
91	K	6	-3.1542
92	H	6	-2.7554
93	D	6	-2.7045
94	E	6	-2.5955
95	L	6	0.0000
96	T	6	-0.1995
97	Y	6	0.5622
98	F	6	0.4705
8	A	4	-0.1942
9	T	4	-0.6864
10	Q	4	-0.7028
11	P	4	-0.5099
12	A	4	-0.6990
13	T	4	-0.8130
14	A	4	-1.0894
15	E	4	-2.4449
16	T	4	0.0000
17	Q	4	-2.2095
18	H	4	-2.7808
19	I	4	0.0000
20	A	4	0.0000
21	D	4	-3.3893
22	Q	4	-2.5607
23	V	4	0.0000
24	R	4	-1.9219
25	S	4	-1.9427
26	Q	4	-1.8981
27	L	4	0.0000
28	E	4	0.0000
29	E	4	-3.3406
30	K	4	-3.1936
31	E	4	-2.7000
32	N	4	-3.2367
33	K	4	-2.5114
34	K	4	-1.3797
35	F	4	0.0000
36	P	4	-0.8621
37	V	4	-0.7854
38	F	4	0.0000
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