Project name: CM254-292

Chain sequence(s)	A: DFEVLLPETICTLRLKQNIGR
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: -2.1246
• Maximal score value: 1.8904
• Average score: -0.053
• Total score value: -1.1139

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	-0.3236
2	F	A	1.3213
3	E	A	-0.1543
4	V	A	1.4806
5	L	A	1.8904
6	L	A	1.4422
7	P	A	0.8135
8	E	A	-0.2405
9	T	A	0.8405
10	I	A	1.1692
11	C	A	0.1127
12	T	A	-0.0866
13	L	A	0.2327
14	R	A	-1.3141
15	L	A	0.1624
16	K	A	-1.5149
17	Q	A	-2.1246
18	N	A	-1.5103
19	I	A	0.1569
20	G	A	-1.4001
21	R	A	-2.0673