Project name: insulin

Chain sequence(s)	A: GIVEQCCTSICSLYQLENYCN; B: FVNQHLCGSHLVVEALYLVCGERRGFFYTPKA
Selected Chain(s)	A,B
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 all 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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.3832
• Maximal score value: 1.505
• Average score: -0.424
• Total score value: -21.6238

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	-1.5032
2	I	A	0.0000
3	V	A	-1.4214
4	E	A	-2.1382
5	Q	A	-1.8516
6	C	A	0.0000
7	C	A	-0.8116
8	T	A	-0.6877
9	S	A	-0.3579
10	I	A	0.3958
11	C	A	0.0000
12	S	A	0.4437
13	L	A	1.0567
14	Y	A	1.0143
15	Q	A	-0.3086
16	L	A	0.0000
17	E	A	-1.2412
18	N	A	-1.4256
19	Y	A	-0.5729
20	C	A	-1.1083
21	N	A	-1.8184
1	F	B	1.2814
2	V	B	0.6578
3	N	B	-0.5202
4	Q	B	-0.6852
5	H	B	-0.8223
6	L	B	0.0000
7	C	B	-0.8190
8	G	B	-0.6472
9	S	B	-1.0978
10	H	B	-1.3065
11	L	B	0.0000
12	V	B	0.0927
13	E	B	-0.9570
14	A	B	0.0000
15	L	B	0.0000
16	Y	B	1.0355
17	L	B	1.2721
18	V	B	0.4741
19	C	B	0.0000
20	G	B	-1.0259
21	E	B	-2.3832
22	R	B	-2.2996
23	G	B	-0.7245
24	F	B	0.2268
25	F	B	1.5050
26	Y	B	1.1586
27	T	B	-0.0002
28	P	B	-0.9496
29	K	B	-1.7146
30	A	B	-1.0389