Project name: REST_test

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE; P: QPPVPPQRPM
Selected Chain(s)	A,P
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QA7P
Energy difference between WT (input) and mutated protein (by FoldX)	0.301865 kcal/mol

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 all 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]       FoldX:    Building mutant model                                                       (00:00:43)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:46)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.1064
• Maximal score value: 1.7549
• Average score: -0.506
• Total score value: -32.8888

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
5	S	A	-0.3161
6	A	A	-0.1070
7	V	A	0.0000
8	K	A	-0.5038
9	A	A	0.0000
10	L	A	0.4884
11	F	A	-0.1396
12	D	A	-1.9438
13	Y	A	0.0000
14	K	A	-1.7038
15	A	A	-0.5275
16	Q	A	-1.4038
17	R	A	-1.6764
18	E	A	-2.1064
19	D	A	-0.7591
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-0.2467
23	F	A	0.0000
24	T	A	-0.6537
25	K	A	-1.9128
26	S	A	-0.4847
27	A	A	0.0000
28	I	A	1.3771
29	I	A	0.0000
30	Q	A	-0.9166
31	N	A	-1.2521
32	V	A	-0.3565
33	E	A	-1.9734
34	K	A	-1.7600
35	Q	A	-1.7599
36	D	A	-2.1009
37	G	A	-0.8254
38	G	A	-0.2027
39	W	A	0.0000
40	W	A	-0.0687
41	R	A	-0.5283
42	G	A	0.0000
43	D	A	-0.4561
44	Y	A	0.2384
45	G	A	-0.4843
46	G	A	-0.6762
47	K	A	-1.0778
48	K	A	-1.9140
49	Q	A	-0.6513
50	L	A	0.1798
51	W	A	0.1751
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-0.1535
55	N	A	-0.6563
56	Y	A	0.0000
57	V	A	0.0000
58	E	A	-1.7244
59	E	A	-2.0722
1	Q	P	-1.2441
2	P	P	-0.4807
3	P	P	0.2228
4	V	P	1.7549
5	P	P	0.2618
6	P	P	-0.1074
7	A	P	-0.0431	mutated: QA7P
8	R	P	-0.4802
9	P	P	-0.1425
10	M	P	1.0067