Project name: 75-1

Chain sequence(s)	A: SPIYEFVKKEMLEYYEKHGVDKEKIEEVINFAAEHPDDPDEISFKIWDFAGEENSMEAMLFAAKVSDKIFEIAES
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:06)

• Minimal score value: -4.1246
• Maximal score value: 0.6709
• Average score: -1.5838
• Total score value: -118.782

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	-0.9423
2	P	A	-0.9761
3	I	A	0.0000
4	Y	A	-1.8181
5	E	A	-2.3000
6	F	A	-1.6387
7	V	A	0.0000
8	K	A	-2.8407
9	K	A	-3.1025
10	E	A	-2.5074
11	M	A	0.0000
12	L	A	-2.4255
13	E	A	-3.5256
14	Y	A	0.0000
15	Y	A	-2.5963
16	E	A	-3.4045
17	K	A	-3.1944
18	H	A	-2.4500
19	G	A	-2.1238
20	V	A	-2.0892
21	D	A	-3.2110
22	K	A	-3.7157
23	E	A	-4.1246
24	K	A	-3.6446
25	I	A	0.0000
26	E	A	-3.7740
27	E	A	-3.6706
28	V	A	0.0000
29	I	A	0.0000
30	N	A	-2.6611
31	F	A	-1.8771
32	A	A	0.0000
33	A	A	-2.0472
34	E	A	-2.5214
35	H	A	-2.4706
36	P	A	-2.2558
37	D	A	-2.9274
38	D	A	-2.8479
39	P	A	-1.7126
40	D	A	-2.0334
41	E	A	-1.6065
42	I	A	0.0000
43	S	A	0.0000
44	F	A	0.6709
45	K	A	-0.5968
46	I	A	0.0000
47	W	A	-0.1196
48	D	A	-1.8846
49	F	A	0.0000
50	A	A	0.0000
51	G	A	-2.1222
52	E	A	-3.0840
53	E	A	-2.4901
54	N	A	-2.4406
55	S	A	-0.9743
56	M	A	0.2070
57	E	A	-1.1155
58	A	A	0.0000
59	M	A	-0.1741
60	L	A	0.5405
61	F	A	-0.2959
62	A	A	0.0000
63	A	A	-0.8231
64	K	A	-2.1372
65	V	A	0.0000
66	S	A	0.0000
67	D	A	-2.9261
68	K	A	-2.6473
69	I	A	0.0000
70	F	A	-1.6280
71	E	A	-2.7321
72	I	A	-1.4254
73	A	A	-1.9022
74	E	A	-2.2910
75	S	A	-1.3537