Project name: CM403-426 Mod2

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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -1.9652
• Maximal score value: 2.4183
• Average score: 0.6448
• Total score value: 15.4764

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	-1.9652
2	N	A	-1.5262
3	A	A	-0.0201
4	I	A	1.4203
5	T	A	0.0590
6	N	A	-0.3488
7	L	A	1.4496
8	L	A	1.6447
9	A	A	0.7621
10	G	A	-0.2160
11	R	A	-0.7987
12	V	A	0.9907
13	S	A	0.0573
14	Q	A	-0.4760
15	M	A	0.6303
16	R	A	0.0054
17	M	A	1.0168
18	L	A	1.5396
19	P	A	1.4792
20	L	A	2.3769
21	G	A	1.7739
22	V	A	2.0849
23	L	A	2.4183
24	S	A	1.1184