Project name: 94b72fc7e676c56

Chain sequence(s)	A: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
Selected Chain(s)	A
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 A 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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -3.751
• Maximal score value: 1.7494
• Average score: -0.8305
• Total score value: -117.105

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	1.7494
2	L	A	0.6014
3	S	A	0.1848
4	P	A	-0.3923
5	A	A	-0.3702
6	D	A	0.0000
7	K	A	-1.0744
8	T	A	-0.7425
9	N	A	-0.8220
10	V	A	0.0000
11	K	A	-1.4331
12	A	A	-1.2605
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	-0.0756
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	-1.6889
68	N	A	-1.7625
69	A	A	0.0000
70	V	A	0.0000
71	A	A	-1.3261
72	H	A	-2.2787
73	V	A	-1.9127
74	D	A	-2.7885
75	D	A	-2.7387
76	M	A	0.0000
77	P	A	-1.7230
78	N	A	-2.1210
79	A	A	-1.6362
80	L	A	0.0000
81	S	A	-0.7542
82	A	A	-0.2489
83	L	A	-0.1001
84	S	A	0.0000
85	D	A	-1.4481
86	L	A	-0.9778
87	H	A	-1.4384
88	A	A	0.0000
89	H	A	-2.5192
90	K	A	-2.3764
91	L	A	-1.3008
92	R	A	-2.5751
93	V	A	-1.4012
94	D	A	-1.6191
95	P	A	-0.8387
96	V	A	0.1448
97	N	A	-0.3262
98	F	A	-0.5319
99	K	A	-1.5232
100	L	A	-0.5202
101	L	A	-0.2368
102	S	A	-1.0292
103	H	A	-1.1316
104	C	A	0.0000
105	L	A	0.0000
106	L	A	0.0000
107	V	A	0.2566
108	T	A	0.0000
109	L	A	0.0000
110	A	A	0.0101
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	-0.7714
117	F	A	-0.2220
118	T	A	-0.2770
119	P	A	-0.3653
120	A	A	-0.1919
121	V	A	-0.5738
122	H	A	-1.0515
123	A	A	-0.9507
124	S	A	0.0000
125	L	A	0.0000
126	D	A	-2.3330
127	K	A	-1.2324
128	F	A	0.0000
129	L	A	0.0000
130	A	A	-0.8429
131	S	A	-0.0870
132	V	A	0.0000
133	S	A	-0.2656
134	T	A	-0.2072
135	V	A	0.0000
136	L	A	-0.1640
137	T	A	-0.9376
138	S	A	-1.0112
139	K	A	-1.6305
140	Y	A	-1.9038
141	R	A	-2.1255