Project name: partially_folded_insuliChain_A

Chain sequence(s)	A: GIVEQCCTSICSLYQLENYCN
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -1.7146
• Maximal score value: 2.0724
• Average score: 0.343
• Total score value: 7.2037

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	G	A	0.7852
2	I	A	2.0724
3	V	A	1.5510
4	E	A	-0.5704
5	Q	A	-0.4945
6	C	A	0.3213
7	C	A	0.3807
8	T	A	0.1392
9	S	A	0.2666
10	I	A	1.7381
11	C	A	1.3812
12	S	A	1.3333
13	L	A	1.7843
14	Y	A	1.2792
15	Q	A	-0.1114
16	L	A	-0.2187
17	E	A	-1.6805
18	N	A	-1.7146
19	Y	A	0.1763
20	C	A	0.1116
21	N	A	-1.3266