Project name: 406a72362d6ee2e

Chain sequence(s)	A: VGVWGQDGNEEMGGITQTPYKVSISGTTVILTCPQYPGSEILWQHNDKNIGGDEDDKNIGSDEDHLSLKEFSELEQSGYYVCYPRGSKPEDANFYLYLRARVCENCMEMDVMSVA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -4.4114
• Maximal score value: 2.3291
• Average score: -1.1648
• Total score value: -133.9575

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	2.1953
2	G	A	1.5455
3	V	A	2.3291
4	W	A	1.4415
5	G	A	-0.5870
6	Q	A	-2.1689
7	D	A	-3.2908
8	G	A	-3.1094
9	N	A	-3.3967
10	E	A	-3.5586
11	E	A	-2.8706
12	M	A	-0.8106
13	G	A	-0.7905
14	G	A	0.1463
15	I	A	1.4729
16	T	A	0.3277
17	Q	A	-0.4205
18	T	A	-0.6212
19	P	A	-0.6768
20	Y	A	-0.3146
21	K	A	-0.9752
22	V	A	0.5306
23	S	A	0.7890
24	I	A	1.5120
25	S	A	0.0743
26	G	A	-1.1987
27	T	A	-1.7280
28	T	A	-1.0068
29	V	A	0.0000
30	I	A	0.3894
31	L	A	0.0000
32	T	A	-1.1122
33	C	A	0.0000
34	P	A	-0.8247
35	Q	A	-0.7379
36	Y	A	-0.6764
37	P	A	-1.1024
38	G	A	-1.3838
39	S	A	-1.9917
40	E	A	-3.2527
41	I	A	0.0000
42	L	A	-1.7238
43	W	A	0.0000
44	Q	A	-1.7262
45	H	A	-1.4715
46	N	A	-2.0379
47	D	A	-3.4079
48	K	A	-3.3578
49	N	A	-2.9282
50	I	A	-2.0602
51	G	A	-2.2318
52	G	A	-2.5600
53	D	A	-4.1415
54	E	A	-4.4114
55	D	A	-4.3511
56	D	A	-4.0356
57	K	A	-3.7660
58	N	A	-2.8699
59	I	A	-2.3015
60	G	A	-2.0716
61	S	A	-2.0670
62	D	A	-3.3245
63	E	A	-3.6297
64	D	A	-2.6078
65	H	A	-1.8788
66	L	A	0.0000
67	S	A	-0.8349
68	L	A	0.0000
69	K	A	-2.9240
70	E	A	-2.9271
71	F	A	0.0000
72	S	A	-1.7985
73	E	A	-1.9788
74	L	A	-0.3476
75	E	A	-1.4498
76	Q	A	-1.3822
77	S	A	-1.1556
78	G	A	0.0000
79	Y	A	0.6689
80	Y	A	0.0000
81	V	A	0.0000
82	C	A	0.0000
83	Y	A	0.0000
84	P	A	-1.9488
85	R	A	-2.8366
86	G	A	-2.0111
87	S	A	-2.3419
88	K	A	-3.3273
89	P	A	-3.3041
90	E	A	-3.7171
91	D	A	-3.5018
92	A	A	-2.1361
93	N	A	-1.5822
94	F	A	-0.0582
95	Y	A	1.3196
96	L	A	1.2768
97	Y	A	1.2798
98	L	A	0.0000
99	R	A	-1.8598
100	A	A	-1.4413
101	R	A	-1.9486
102	V	A	-1.5480
103	C	A	-1.7146
104	E	A	-2.3377
105	N	A	-1.8294
106	C	A	-0.7684
107	M	A	-0.1255
108	E	A	-1.0559
109	M	A	0.4541
110	D	A	-0.5070
111	V	A	1.7009
112	M	A	2.0064
113	S	A	1.5284
114	V	A	2.3039
115	A	A	1.0184