Project name: CM163-183 Mod1

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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.2292
• Maximal score value: 1.6982
• Average score: 0.0296
• Total score value: 0.6218

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	-0.8348
2	R	A	-2.2292
3	N	A	-1.5859
4	V	A	0.4794
5	A	A	-0.1270
6	N	A	-0.9146
7	Q	A	-0.1738
8	I	A	1.6982
9	D	A	0.1874
10	P	A	0.2136
11	Y	A	1.5095
12	L	A	1.0594
13	R	A	-0.4872
14	K	A	0.2357
15	F	A	0.8597
16	Y	A	1.2099
17	L	A	1.4673
18	A	A	0.3732
19	G	A	-0.5032
20	R	A	-1.3699
21	P	A	-0.4459