Project name: 79-9

Chain sequence(s)	A: SVAEELIKFFRELSEKSKDPDAADMYRFAAMQVELLTRESEDPLAELKEFLDFFIPYLQRHGWISEEEKKKLLELKAKL
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                                          (00:04:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)

• Minimal score value: -4.4251
• Maximal score value: 0.6146
• Average score: -1.7624
• Total score value: -139.2306

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	-1.0672
2	V	A	-1.2220
3	A	A	-1.5572
4	E	A	-2.8397
5	E	A	-2.4696
6	L	A	0.0000
7	I	A	-2.6118
8	K	A	-3.3960
9	F	A	-2.6576
10	F	A	0.0000
11	R	A	-4.3310
12	E	A	-4.3506
13	L	A	0.0000
14	S	A	0.0000
15	E	A	-4.4251
16	K	A	-3.8484
17	S	A	-3.4550
18	K	A	-3.1434
19	D	A	-2.9123
20	P	A	-2.4852
21	D	A	-2.9848
22	A	A	0.0000
23	A	A	-3.5361
24	D	A	-3.1567
25	M	A	-1.4264
26	Y	A	0.0000
27	R	A	-2.8438
28	F	A	-0.7640
29	A	A	0.0000
30	A	A	0.0000
31	M	A	-0.1178
32	Q	A	-0.3522
33	V	A	0.0000
34	E	A	-1.8276
35	L	A	-1.1830
36	L	A	-1.8098
37	T	A	-2.3247
38	R	A	-3.1672
39	E	A	-3.4211
40	S	A	-2.8177
41	E	A	-3.3484
42	D	A	-2.8319
43	P	A	-2.0869
44	L	A	-0.2519
45	A	A	-1.2705
46	E	A	-2.3629
47	L	A	0.0000
48	K	A	-1.6890
49	E	A	-2.5019
50	F	A	0.0000
51	L	A	0.0000
52	D	A	-1.6841
53	F	A	0.6146
54	F	A	0.0000
55	I	A	0.0000
56	P	A	-0.6416
57	Y	A	-0.5081
58	L	A	0.0000
59	Q	A	-2.0525
60	R	A	-2.5189
61	H	A	-2.0231
62	G	A	-1.7299
63	W	A	-1.2314
64	I	A	0.0000
65	S	A	-2.2781
66	E	A	-3.6991
67	E	A	-3.7551
68	E	A	-2.9533
69	K	A	-3.1016
70	K	A	-3.8603
71	K	A	-3.2194
72	L	A	0.0000
73	L	A	-1.8412
74	E	A	-2.7488
75	L	A	0.0000
76	K	A	-1.7135
77	A	A	-1.2878
78	K	A	-1.7148
79	L	A	-0.4342