Project name: db34af76bc947db4219b1581a8611799

Chain sequence(s)	B: CGSGAAAAAAKDPKLREVLERAPEVVERAEEVAERAAAVAAAATDPAKKKAAEYAAIGARNVANSAEIVREEVLEDPEATDPEEALADLENAERQVRDLERRVAALEAAVAAGPDAPVPTVPIS
Selected Chain(s)	B
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 B 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                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)

• Minimal score value: -4.8347
• Maximal score value: 0.4404
• Average score: -1.3324
• Total score value: -165.2191

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	C	B	0.4404
2	G	B	-0.4630
3	S	B	-0.9889
4	G	B	-1.1800
5	A	B	-0.3743
6	A	B	-0.2885
7	A	B	0.0000
8	A	B	-0.8461
9	A	B	-0.5594
10	A	B	-1.5476
11	K	B	-2.4413
12	D	B	-2.3688
13	P	B	-1.7219
14	K	B	-2.5706
15	L	B	0.0000
16	R	B	-2.4465
17	E	B	-2.3225
18	V	B	0.0000
19	L	B	0.0000
20	E	B	-3.0432
21	R	B	-2.3631
22	A	B	0.0000
23	P	B	-2.1474
24	E	B	-2.9571
25	V	B	0.0000
26	V	B	-3.1885
27	E	B	-3.6456
28	R	B	-3.5021
29	A	B	0.0000
30	E	B	-4.8347
31	E	B	-4.3892
32	V	B	0.0000
33	A	B	0.0000
34	E	B	-3.3397
35	R	B	-2.2980
36	A	B	0.0000
37	A	B	-1.1187
38	A	B	-0.9305
39	V	B	0.0000
40	A	B	0.0000
41	A	B	-0.3588
42	A	B	-0.1524
43	A	B	0.0000
44	T	B	-0.5194
45	D	B	-1.1537
46	P	B	-1.1719
47	A	B	-1.0053
48	K	B	0.0000
49	K	B	-1.8798
50	K	B	-1.8972
51	A	B	-0.7467
52	A	B	0.0000
53	E	B	-1.1121
54	Y	B	0.3916
55	A	B	0.0000
56	A	B	-1.2476
57	I	B	-0.0861
58	G	B	-0.4985
59	A	B	0.0000
60	R	B	-3.2272
61	N	B	-2.7318
62	V	B	0.0000
63	A	B	0.0000
64	N	B	-2.3409
65	S	B	-1.5350
66	A	B	0.0000
67	E	B	-1.4916
68	I	B	-0.1570
69	V	B	0.0000
70	R	B	-2.0841
71	E	B	-2.6959
72	E	B	-3.3158
73	V	B	0.0000
74	L	B	-2.0106
75	E	B	-3.7124
76	D	B	-3.7900
77	P	B	-3.3115
78	E	B	-3.1081
79	A	B	-2.2914
80	T	B	-2.8915
81	D	B	-3.3122
82	P	B	-3.1351
83	E	B	-3.5191
84	E	B	-3.8474
85	A	B	0.0000
86	L	B	-2.6512
87	A	B	-2.7368
88	D	B	-3.0223
89	L	B	0.0000
90	E	B	-2.5660
91	N	B	-2.2351
92	A	B	0.0000
93	E	B	-2.3328
94	R	B	-2.3176
95	Q	B	-1.9917
96	V	B	0.0000
97	R	B	-3.0226
98	D	B	-2.2296
99	L	B	0.0000
100	E	B	-2.6406
101	R	B	-2.8158
102	R	B	-1.7534
103	V	B	0.0000
104	A	B	-1.1305
105	A	B	-0.7130
106	L	B	0.0000
107	E	B	-0.7933
108	A	B	-0.0896
109	A	B	0.0000
110	V	B	-0.2439
111	A	B	0.0441
112	A	B	-0.3230
113	G	B	-0.6842
114	P	B	-1.1689
115	D	B	-1.9084
116	A	B	-0.8743
117	P	B	-0.4315
118	V	B	0.0482
119	P	B	0.0321
120	T	B	-0.0111
121	V	B	0.0000
122	P	B	-0.3685
123	I	B	-0.3558
124	S	B	-0.5487