Project name: Michael Herrera

Chain sequence(s)	A: STIEERVKKIIGEQLGVKQEEVTNNASFVEDLGADSLDTVELVMALEEEFDTEIPDDEEAEKITTVQAAIDYINGHQA
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]                                                (00:00:00)
[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 A 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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.9388
• Maximal score value: 1.1843
• Average score: -1.5404
• Total score value: -118.6076

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	S	A	-0.9861
2	T	A	-1.1261
3	I	A	-1.5966
4	E	A	-2.6126
5	E	A	-2.7507
6	R	A	-2.6559
7	V	A	0.0000
8	K	A	-2.5218
9	K	A	-2.8452
10	I	A	-1.7427
11	I	A	0.0000
12	G	A	0.0000
13	E	A	-2.7182
14	Q	A	-1.7610
15	L	A	-1.5175
16	G	A	-1.6269
17	V	A	-2.3304
18	K	A	-3.4335
19	Q	A	-3.6583
20	E	A	-3.3041
21	E	A	-2.9538
22	V	A	0.0000
23	T	A	-1.8046
24	N	A	-1.4637
25	N	A	-1.8204
26	A	A	0.0000
27	S	A	-1.4816
28	F	A	0.0000
29	V	A	-1.1462
30	E	A	-2.5476
31	D	A	-2.8167
32	L	A	0.0000
33	G	A	-1.6024
34	A	A	0.0000
35	D	A	-1.3874
36	S	A	-0.0669
37	L	A	0.8679
38	D	A	-0.2595
39	T	A	0.2157
40	V	A	1.1843
41	E	A	-0.1123
42	L	A	0.0000
43	V	A	-0.4132
44	M	A	-0.3841
45	A	A	-1.1627
46	L	A	0.0000
47	E	A	-2.6245
48	E	A	-3.1460
49	E	A	-2.3921
50	F	A	-2.4463
51	D	A	-3.3220
52	T	A	-2.6511
53	E	A	-2.7586
54	I	A	0.0000
55	P	A	-2.4735
56	D	A	-3.8983
57	E	A	-3.9388
58	E	A	-3.3250
59	A	A	-2.8632
60	E	A	-3.6994
61	K	A	-3.4213
62	I	A	0.0000
63	T	A	-1.1329
64	T	A	-1.3179
65	V	A	0.0000
66	Q	A	-1.5979
67	A	A	-1.5395
68	A	A	0.0000
69	I	A	0.0000
70	D	A	-2.4330
71	Y	A	0.0000
72	I	A	0.0000
73	N	A	-2.0716
74	G	A	-1.8711
75	H	A	-2.0822
76	Q	A	-1.8717
77	A	A	-1.3869