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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.1119
• Maximal score value: 1.755
• Average score: -0.5251
• Total score value: -34.1285

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	-0.2984
6	A	A	-0.1041
7	V	A	0.0000
8	K	A	-0.5090
9	A	A	0.0000
10	L	A	0.4897
11	F	A	-0.1323
12	D	A	-1.9426
13	Y	A	0.0000
14	K	A	-1.7037
15	A	A	-0.5272
16	Q	A	-1.4092
17	R	A	-1.7058
18	E	A	-2.1119
19	D	A	-0.7591
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-0.2461
23	F	A	0.0000
24	T	A	-0.6549
25	K	A	-1.9122
26	S	A	-0.4856
27	A	A	0.0000
28	I	A	1.3035
29	I	A	0.0000
30	Q	A	-0.8704
31	N	A	-1.0938
32	V	A	-0.3179
33	E	A	-1.9261
34	K	A	-1.7451
35	Q	A	-1.7587
36	D	A	-2.1009
37	G	A	-0.8253
38	G	A	-0.2021
39	W	A	0.0000
40	W	A	-0.0702
41	R	A	-0.5407
42	G	A	0.0000
43	D	A	-0.4527
44	Y	A	0.2405
45	G	A	-0.4840
46	G	A	-0.6743
47	K	A	-1.0672
48	K	A	-1.9120
49	Q	A	-0.6532
50	L	A	0.1758
51	W	A	0.1730
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-0.1529
55	N	A	-0.6529
56	Y	A	0.0000
57	V	A	0.0000
58	E	A	-1.7099
59	E	A	-2.0696
1	Q	P	-1.2441
2	P	P	-0.4807
3	P	P	0.2228
4	V	P	1.7550
5	P	P	0.2622
6	P	P	-0.3364
7	Q	P	-1.2681
8	R	P	-0.5356
9	P	P	-0.1108
10	M	P	1.0067