Project name: insulin_all_three_iter2

Chain sequence(s)	A: GIVEQCCGNICSLKQLEKYCNNEDKELCGSHLVDMLPDYCGERGFFYSPHK
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -4.5821
• Maximal score value: 1.9519
• Average score: -1.5524
• Total score value: -79.1734

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	-1.0268
2	I	A	-0.8061
3	V	A	-1.0854
4	E	A	-2.6484
5	Q	A	-2.2088
6	C	A	0.0000
7	C	A	-1.3389
8	G	A	-1.5753
9	N	A	-1.2567
10	I	A	0.2563
11	C	A	0.0000
12	S	A	0.0000
13	L	A	-1.8013
14	K	A	-3.1587
15	Q	A	-2.4454
16	L	A	0.0000
17	E	A	-3.2957
18	K	A	-2.8956
19	Y	A	-1.5268
20	C	A	-2.7210
21	N	A	-3.7758
22	N	A	-3.7886
23	E	A	-4.3241
24	D	A	-4.5821
25	K	A	-4.5117
26	E	A	-3.5393
27	L	A	-2.2438
28	C	A	-1.9582
29	G	A	0.0000
30	S	A	-1.0051
31	H	A	-1.5844
32	L	A	0.0000
33	V	A	-0.4481
34	D	A	-2.0020
35	M	A	-1.1399
36	L	A	0.0000
37	P	A	-1.3126
38	D	A	-2.0163
39	Y	A	-0.6014
40	C	A	0.0000
41	G	A	-2.0175
42	E	A	-2.8581
43	R	A	-2.4695
44	G	A	-1.2782
45	F	A	0.3726
46	F	A	1.9519
47	Y	A	1.0387
48	S	A	0.0000
49	P	A	-1.0635
50	H	A	-2.0616
51	K	A	-2.4202