Project name: CM163-183 Mod2

Chain sequence(s)	A: TRNVANQIDPYLRKFYLAGRP
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.8892
• Maximal score value: 1.6547
• Average score: -0.6842
• Total score value: -14.3676

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	T	A	-1.4678
2	R	A	-2.7624
3	N	A	-2.5303
4	V	A	-1.1478
5	A	A	-1.7309
6	N	A	-2.8892
7	Q	A	-2.4420
8	I	A	-0.8546
9	D	A	-1.6897
10	P	A	-0.7352
11	Y	A	1.0673
12	L	A	0.8137
13	R	A	-0.1435
14	K	A	-0.3058
15	F	A	1.0769
16	Y	A	1.6547
17	L	A	1.5693
18	A	A	0.3338
19	G	A	-0.4453
20	R	A	-1.2614
21	P	A	-0.4774