Project name: 2e41e5b675cb170401c7a5daddc8bb08

Chain sequence(s)	B: HEAEEIGERARRVKEWAEAILEEAKEVLEEAKENKEDKGKVEEYIKRLEEILEVMERVLEDARRLLEKAREAGDEEAIEAAEEAVEVAEEALEEVKELLEEAKKIGSGC
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                                          (00:03:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:38)

• Minimal score value: -5.0066
• Maximal score value: 0.0
• Average score: -2.7239
• Total score value: -296.9091

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	H	B	-2.8632
2	E	B	-3.6342
3	A	B	-4.3754
4	E	B	-4.7313
5	E	B	-4.7776
6	I	B	0.0000
7	G	B	0.0000
8	E	B	-4.5825
9	R	B	-4.4264
10	A	B	0.0000
11	R	B	-3.6835
12	R	B	-3.3496
13	V	B	0.0000
14	K	B	-3.0346
15	E	B	-2.8515
16	W	B	-1.1798
17	A	B	0.0000
18	E	B	-2.8232
19	A	B	-1.8163
20	I	B	-1.2409
21	L	B	-2.4008
22	E	B	-3.1056
23	E	B	-2.8279
24	A	B	0.0000
25	K	B	-3.1711
26	E	B	-3.8588
27	V	B	-2.7839
28	L	B	0.0000
29	E	B	-4.2158
30	E	B	-3.9512
31	A	B	0.0000
32	K	B	-3.9078
33	E	B	-4.1411
34	N	B	-4.1788
35	K	B	-5.0066
36	E	B	-4.3720
37	D	B	-4.4701
38	K	B	-4.3873
39	G	B	-3.4373
40	K	B	-3.8633
41	V	B	0.0000
42	E	B	-4.0152
43	E	B	-3.8733
44	Y	B	-3.4833
45	I	B	-3.0354
46	K	B	-3.9882
47	R	B	-3.3400
48	L	B	0.0000
49	E	B	-3.6750
50	E	B	-3.4618
51	I	B	0.0000
52	L	B	-2.9245
53	E	B	-3.2408
54	V	B	-1.8600
55	M	B	0.0000
56	E	B	-3.6355
57	R	B	-3.5494
58	V	B	-2.3792
59	L	B	-3.2301
60	E	B	-4.1586
61	D	B	-3.4718
62	A	B	0.0000
63	R	B	-4.6000
64	R	B	-4.2624
65	L	B	0.0000
66	L	B	-3.9578
67	E	B	-4.4855
68	K	B	-3.8451
69	A	B	0.0000
70	R	B	-4.4530
71	E	B	-3.6268
72	A	B	-2.8057
73	G	B	-2.9071
74	D	B	-3.6529
75	E	B	-3.7573
76	E	B	-4.1010
77	A	B	0.0000
78	I	B	-3.7605
79	E	B	-3.9662
80	A	B	-3.3110
81	A	B	0.0000
82	E	B	-3.9124
83	E	B	-3.2608
84	A	B	0.0000
85	V	B	-3.4644
86	E	B	-3.6144
87	V	B	-2.6511
88	A	B	0.0000
89	E	B	-3.8355
90	E	B	-3.8230
91	A	B	0.0000
92	L	B	-3.5242
93	E	B	-4.1984
94	E	B	-3.7362
95	V	B	0.0000
96	K	B	-3.8881
97	E	B	-4.1316
98	L	B	-3.2433
99	L	B	0.0000
100	E	B	-3.9367
101	E	B	-3.0937
102	A	B	0.0000
103	K	B	-3.1004
104	K	B	-2.6624
105	I	B	-2.4938
106	G	B	-2.9160
107	S	B	-1.5122
108	G	B	-1.3652
109	C	B	-0.2815