Project name: 6edfe5982a4f7551bc1bfdfb48035ad4

Chain sequence(s)	B: QVVDLGAHARANRERILEKEGEERGKRIWAYLAVESAEWYLHEPRLTPEDAKVVVELVEEAIEWIKEYGALKWTGTENVPLSEEEQEELIERGREIAEEIREKHVGSGC
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]                                                (00:00:00)
[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 B 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                                          (00:02:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)

• Minimal score value: -5.245
• Maximal score value: 0.5985
• Average score: -1.8413
• Total score value: -200.6983

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	Q	B	-0.4507
2	V	B	0.5985
3	V	B	-0.4048
4	D	B	-1.9559
5	L	B	0.0000
6	G	B	0.0000
7	A	B	-1.6702
8	H	B	-2.2584
9	A	B	0.0000
10	R	B	-3.1207
11	A	B	-2.7922
12	N	B	-3.3222
13	R	B	-3.0589
14	E	B	-4.3227
15	R	B	-4.3903
16	I	B	-3.3137
17	L	B	-3.9740
18	E	B	-4.5253
19	K	B	-3.9666
20	E	B	-3.3666
21	G	B	-3.4463
22	E	B	-4.0467
23	E	B	-3.3025
24	R	B	-3.1284
25	G	B	0.0000
26	K	B	-2.4673
27	R	B	-2.0103
28	I	B	0.0000
29	W	B	0.0000
30	A	B	0.0000
31	Y	B	0.0000
32	L	B	-0.4829
33	A	B	0.0000
34	V	B	0.0000
35	E	B	-2.0795
36	S	B	-0.9404
37	A	B	0.0000
38	E	B	-2.3343
39	W	B	-0.4167
40	Y	B	0.0000
41	L	B	0.0000
42	H	B	-1.5046
43	E	B	0.0000
44	P	B	-1.4435
45	R	B	-2.0318
46	L	B	0.0000
47	T	B	-1.5542
48	P	B	-1.7845
49	E	B	-2.2712
50	D	B	0.0000
51	A	B	0.0000
52	K	B	-1.9730
53	V	B	-1.7299
54	V	B	0.0000
55	V	B	0.0000
56	E	B	-2.5500
57	L	B	-2.0172
58	V	B	0.0000
59	E	B	-3.1149
60	E	B	-2.2885
61	A	B	0.0000
62	I	B	0.0000
63	E	B	-3.2420
64	W	B	-2.5732
65	I	B	0.0000
66	K	B	-3.5509
67	E	B	-3.0138
68	Y	B	-1.8754
69	G	B	-1.8424
70	A	B	0.0000
71	L	B	-0.4183
72	K	B	-0.6898
73	W	B	0.1954
74	T	B	-0.4510
75	G	B	-0.8152
76	T	B	-0.9823
77	E	B	-1.7587
78	N	B	-0.9213
79	V	B	-0.1351
80	P	B	-0.5114
81	L	B	0.0000
82	S	B	-2.5116
83	E	B	-4.1502
84	E	B	-4.4825
85	E	B	-4.3448
86	Q	B	-4.3018
87	E	B	-5.2077
88	E	B	-5.2055
89	L	B	0.0000
90	I	B	-4.2796
91	E	B	-4.9792
92	R	B	-5.2450
93	G	B	0.0000
94	R	B	-5.0008
95	E	B	-4.9809
96	I	B	0.0000
97	A	B	0.0000
98	E	B	-4.6797
99	E	B	-4.2286
100	I	B	0.0000
101	R	B	-4.0309
102	E	B	-4.1933
103	K	B	-3.6696
104	H	B	-2.3454
105	V	B	-1.9860
106	G	B	-1.6090
107	S	B	-1.2548
108	G	B	-0.5679
109	C	B	0.3552