Project name: 471e0db0621c0e0

Chain sequence(s)	A: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR; C: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
Selected Chain(s)	A,C
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:31)

• Minimal score value: -3.8575
• Maximal score value: 1.3242
• Average score: -0.8428
• Total score value: -237.6755

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	V	A	1.2367
2	L	A	0.4556
3	S	A	0.0299
4	P	A	-0.3961
5	A	A	-0.3718
6	D	A	0.0000
7	K	A	-1.0773
8	T	A	-0.7427
9	N	A	-0.8179
10	V	A	0.0000
11	K	A	-1.4337
12	A	A	-1.2601
13	A	A	0.0000
14	W	A	0.0000
15	G	A	-1.6834
16	K	A	-2.3673
17	V	A	0.0000
18	G	A	-1.3596
19	A	A	-0.9401
20	H	A	-1.6130
21	A	A	-1.9202
22	G	A	-2.7138
23	E	A	-2.3848
24	Y	A	0.0000
25	G	A	0.0000
26	A	A	-2.2687
27	E	A	-1.4051
28	A	A	0.0000
29	L	A	0.0000
30	E	A	-0.7096
31	R	A	-0.1933
32	M	A	0.0000
33	F	A	0.0000
34	L	A	1.1750
35	S	A	0.5760
36	F	A	0.4925
37	P	A	0.0541
38	T	A	-0.0996
39	T	A	0.0000
40	K	A	-0.3683
41	T	A	-0.3020
42	Y	A	-0.0775
43	F	A	-0.2748
44	P	A	-0.7072
45	H	A	-1.1929
46	F	A	-0.9117
47	D	A	-1.7024
48	L	A	-1.1783
49	S	A	-1.1353
50	H	A	-1.8001
51	G	A	-1.6622
52	S	A	0.0000
53	A	A	-1.2949
54	Q	A	-1.7133
55	V	A	0.0000
56	K	A	-2.9377
57	G	A	-2.4484
58	H	A	-2.1965
59	G	A	0.0000
60	K	A	-3.7510
61	K	A	-3.1580
62	V	A	-1.8381
63	A	A	0.0000
64	D	A	-2.9987
65	A	A	-1.8020
66	L	A	0.0000
67	T	A	-1.6899
68	N	A	-1.7639
69	A	A	0.0000
70	V	A	0.0000
71	A	A	-1.3289
72	H	A	-2.2834
73	V	A	-1.9247
74	D	A	-2.7952
75	D	A	-2.7417
76	M	A	0.0000
77	P	A	-1.7155
78	N	A	-2.1210
79	A	A	-1.6376
80	L	A	0.0000
81	S	A	-0.7457
82	A	A	-0.2489
83	L	A	-0.1001
84	S	A	0.0000
85	D	A	-1.4386
86	L	A	-0.9782
87	H	A	-1.4324
88	A	A	0.0000
89	H	A	-2.5200
90	K	A	-2.3764
91	L	A	-1.3029
92	R	A	-2.5799
93	V	A	-1.4056
94	D	A	-1.6284
95	P	A	-0.8252
96	V	A	0.1642
97	N	A	-0.3183
98	F	A	-0.5271
99	K	A	-1.5093
100	L	A	-0.5150
101	L	A	-0.2341
102	S	A	-0.9585
103	H	A	-1.1207
104	C	A	0.0000
105	L	A	0.0000
106	L	A	0.0000
107	V	A	0.2592
108	T	A	0.0000
109	L	A	0.0000
110	A	A	0.0140
111	A	A	0.0387
112	H	A	-0.5572
113	L	A	0.0000
114	P	A	-0.3557
115	A	A	-0.2549
116	E	A	-0.7683
117	F	A	-0.2152
118	T	A	-0.2702
119	P	A	-0.3564
120	A	A	-0.1841
121	V	A	-0.4895
122	H	A	-0.9245
123	A	A	-1.0122
124	S	A	0.0000
125	L	A	0.0000
126	D	A	-1.9803
127	K	A	-0.9337
128	F	A	0.0000
129	L	A	0.0000
130	A	A	-0.6335
131	S	A	0.0587
132	V	A	0.0000
133	S	A	-0.1953
134	T	A	-0.1878
135	V	A	0.0000
136	L	A	-0.1420
137	T	A	-0.9023
138	S	A	-0.6228
139	K	A	-1.2982
140	Y	A	-1.6966
141	R	A	-1.8452
1	V	C	1.3242
2	L	C	0.2713
3	S	C	-0.1210
4	P	C	-0.3131
5	A	C	-0.3631
6	D	C	-0.6842
7	K	C	-1.2597
8	T	C	-0.9596
9	N	C	-1.0003
10	V	C	0.0000
11	K	C	-1.9489
12	A	C	-1.5331
13	A	C	0.0000
14	W	C	0.0000
15	G	C	-1.8205
16	K	C	-2.3998
17	V	C	0.0000
18	G	C	-1.2063
19	A	C	-1.0401
20	H	C	-1.8818
21	A	C	-2.0491
22	G	C	-2.9590
23	E	C	-2.8724
24	Y	C	0.0000
25	G	C	0.0000
26	A	C	0.0000
27	E	C	-1.4866
28	A	C	0.0000
29	L	C	0.0000
30	E	C	-0.9197
31	R	C	-0.3681
32	M	C	0.0000
33	F	C	0.0000
34	L	C	1.1022
35	S	C	0.5090
36	F	C	0.4906
37	P	C	0.0375
38	T	C	-0.1096
39	T	C	0.0000
40	K	C	-0.5159
41	T	C	-0.3766
42	Y	C	-0.0707
43	F	C	-0.3814
44	P	C	-0.8511
45	H	C	-1.3365
46	F	C	-1.2277
47	D	C	-2.1216
48	L	C	-1.3389
49	S	C	-1.3503
50	H	C	-1.7942
51	G	C	-1.6747
52	S	C	0.0000
53	A	C	-1.4966
54	Q	C	-1.8633
55	V	C	0.0000
56	K	C	-3.2514
57	G	C	-2.6175
58	H	C	-2.1825
59	G	C	0.0000
60	K	C	-3.8575
61	K	C	-3.0748
62	V	C	-1.8329
63	A	C	0.0000
64	D	C	-2.8510
65	A	C	-1.6040
66	L	C	0.0000
67	T	C	-1.4638
68	N	C	-1.3169
69	A	C	0.0000
70	V	C	0.0000
71	A	C	-1.1544
72	H	C	-2.0391
73	V	C	-1.9097
74	D	C	-2.9879
75	D	C	-3.2542
76	M	C	0.0000
77	P	C	-1.7883
78	N	C	-2.2279
79	A	C	-1.6271
80	L	C	0.0000
81	S	C	-1.0694
82	A	C	-0.5250
83	L	C	-0.4226
84	S	C	0.0000
85	D	C	-2.3303
86	L	C	-1.4776
87	H	C	-1.7092
88	A	C	0.0000
89	H	C	-2.8871
90	K	C	-2.5417
91	L	C	-1.2657
92	R	C	-2.5355
93	V	C	-1.0887
94	D	C	-1.0483
95	P	C	-0.3958
96	V	C	0.7499
97	N	C	0.0000
98	F	C	-0.3175
99	K	C	-1.3883
100	L	C	-0.3865
101	L	C	-0.1906
102	S	C	-1.0186
103	H	C	-1.3591
104	C	C	0.0000
105	L	C	0.0000
106	L	C	0.0000
107	V	C	0.3510
108	T	C	0.0000
109	L	C	0.0000
110	A	C	0.0807
111	A	C	0.0716
112	H	C	-0.5384
113	L	C	0.0000
114	P	C	-0.3180
115	A	C	-0.2074
116	E	C	-0.6729
117	F	C	-0.1478
118	T	C	-0.2347
119	P	C	-0.3532
120	A	C	-0.2109
121	V	C	-0.4497
122	H	C	-0.9994
123	A	C	-1.0730
124	S	C	0.0000
125	L	C	0.0000
126	D	C	-2.0695
127	K	C	-0.9936
128	F	C	0.0000
129	L	C	0.0000
130	A	C	-0.6755
131	S	C	0.0287
132	V	C	0.0000
133	S	C	-0.1414
134	T	C	-0.2897
135	V	C	0.0000
136	L	C	-0.3868
137	T	C	-1.2239
138	S	C	-1.1020
139	K	C	-2.3788
140	Y	C	-2.1956
141	R	C	-2.0883