Project name: e3f72f920e5b05a

Chain sequence(s)	A: EGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKD
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -3.2522
• Maximal score value: 2.9519
• Average score: 0.005
• Total score value: 0.3219

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
35	E	A	-1.4094
36	G	A	-0.1045
37	V	A	1.7648
38	L	A	2.9032
39	Y	A	2.8153
40	V	A	2.2528
41	G	A	0.3827
42	S	A	-0.2275
43	K	A	-1.8980
44	T	A	-2.1002
45	K	A	-2.7993
46	E	A	-2.9475
47	G	A	-1.4815
48	V	A	0.0036
49	V	A	0.7802
50	H	A	0.0207
51	G	A	0.0753
52	V	A	1.6493
53	A	A	1.2795
54	T	A	1.3870
55	V	A	1.1377
56	A	A	-0.5502
57	E	A	-2.2215
58	K	A	-2.7446
59	T	A	-2.3620
60	K	A	-3.2522
61	E	A	-2.8398
62	Q	A	-1.6405
63	V	A	0.7473
64	T	A	0.6640
65	N	A	0.5250
66	V	A	0.7420
67	G	A	0.3801
68	G	A	0.5124
69	A	A	1.4029
70	V	A	2.6339
71	V	A	2.9519
72	T	A	1.1536
73	G	A	0.7194
74	V	A	2.1190
75	T	A	1.4280
76	A	A	1.4403
77	V	A	1.4052
78	A	A	-0.1358
79	Q	A	-1.5721
80	K	A	-2.5114
81	T	A	-1.1545
82	V	A	-0.2836
83	E	A	-1.3658
84	G	A	-0.8064
85	A	A	-0.0739
86	G	A	-0.0347
87	S	A	0.7653
88	I	A	2.0297
89	A	A	1.7158
90	A	A	0.7362
91	A	A	0.5654
92	T	A	0.2121
93	G	A	0.6384
94	F	A	1.7943
95	V	A	0.7564
96	K	A	-1.8081
97	K	A	-2.9127
98	D	A	-2.9311