Project name: CM403-426 Mod3

Chain sequence(s)	A: DNAITNLLAGRVSQMRMLPLGVLS
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -1.93
• Maximal score value: 2.9003
• Average score: 0.7034
• Total score value: 16.8807

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	-1.9300
2	N	A	-1.4532
3	A	A	0.0554
4	I	A	1.5576
5	T	A	0.1969
6	N	A	-0.0963
7	L	A	1.9110
8	L	A	1.9412
9	A	A	0.9067
10	G	A	-0.0322
11	R	A	-0.7617
12	V	A	0.8767
13	S	A	-0.1504
14	Q	A	-0.7677
15	M	A	0.0435
16	R	A	-0.6290
17	M	A	1.1536
18	L	A	2.0188
19	P	A	1.3711
20	L	A	1.9187
21	G	A	1.7534
22	V	A	2.9003
23	L	A	2.8026
24	S	A	1.2937