Project name: CM403-426 Mod4

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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -1.9686
• Maximal score value: 2.7303
• Average score: 0.4553
• Total score value: 10.9275

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	-1.9686
2	N	A	-1.6288
3	A	A	-0.1871
4	I	A	1.1813
5	T	A	-0.1704
6	N	A	-0.6978
7	L	A	0.7915
8	L	A	1.1118
9	A	A	0.4302
10	G	A	-0.4999
11	R	A	-1.1259
12	V	A	0.4421
13	S	A	-0.4022
14	Q	A	-0.1088
15	M	A	0.2466
16	R	A	-0.4851
17	M	A	1.2553
18	L	A	1.7530
19	P	A	0.7825
20	L	A	1.9760
21	G	A	1.6395
22	V	A	2.7303
23	L	A	2.5345
24	S	A	1.3275