Project name: REST_test

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -1.9743
• Maximal score value: 2.3274
• Average score: 0.0319
• Total score value: 1.3407

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	D	A	-1.7838
2	A	A	-0.6412
3	E	A	-1.4532
4	F	A	1.2594
5	R	A	-1.6672
6	H	A	-1.6540
7	D	A	-1.8982
8	S	A	-0.7025
9	G	A	-0.2613
10	Y	A	0.9928
11	E	A	-0.3158
12	V	A	1.4764
13	H	A	-0.6937
14	H	A	-1.2297
15	Q	A	-1.1120
16	K	A	-1.7178
17	L	A	0.9365
18	V	A	0.7295
19	F	A	2.3274
20	F	A	2.3160
21	A	A	0.2459
22	E	A	-1.6466
23	D	A	-1.8364
24	V	A	0.4105
25	G	A	-0.3597
26	S	A	-0.5365
27	N	A	-1.7914
28	K	A	-1.9743
29	G	A	-0.3917
30	A	A	0.0893
31	I	A	1.5111
32	I	A	2.1390
33	G	A	0.4385
34	L	A	1.4916
35	M	A	0.6864
36	V	A	1.6574
37	G	A	-0.2066
38	G	A	-0.0903
39	V	A	1.9298
40	V	A	1.9670
41	I	A	2.2671
42	A	A	0.4330