Project name: CM403-426 Mod5

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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.8607
• Maximal score value: 2.2482
• Average score: 0.4765
• Total score value: 11.4351

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	-1.8607
2	N	A	-1.6299
3	A	A	-0.2649
4	I	A	1.1302
5	T	A	-0.0112
6	N	A	-0.4771
7	L	A	1.0422
8	L	A	1.7768
9	A	A	0.8183
10	G	A	0.0698
11	R	A	0.1945
12	V	A	0.8452
13	S	A	-0.0273
14	Q	A	0.1866
15	M	A	0.5710
16	R	A	-0.8599
17	M	A	0.5472
18	L	A	1.3686
19	P	A	0.7503
20	L	A	1.9613
21	G	A	1.3714
22	V	A	2.2482
23	L	A	1.2065
24	S	A	0.4780