Project name: insulin_all_three_iter1

Chain sequence(s)	A: GIVEQCCGNICSLKQLEKYCDNEDKELCGSHLVDMLPDYCGERGFFYSPHK
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -4.4706
• Maximal score value: 1.9252
• Average score: -1.357
• Total score value: -69.2051

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	-0.7607
2	I	A	-0.3873
3	V	A	-0.7316
4	E	A	-2.4035
5	Q	A	-1.7635
6	C	A	0.0000
7	C	A	0.0000
8	G	A	-1.6426
9	N	A	-0.9631
10	I	A	0.4795
11	C	A	0.0000
12	S	A	0.0000
13	L	A	-1.4596
14	K	A	-2.7214
15	Q	A	-1.8581
16	L	A	0.0000
17	E	A	-2.2116
18	K	A	-2.2263
19	Y	A	-0.6163
20	C	A	-1.9668
21	D	A	-3.1177
22	N	A	-3.4973
23	E	A	-4.3219
24	D	A	-4.4706
25	K	A	-4.2875
26	E	A	-3.3227
27	L	A	-1.8502
28	C	A	-1.3327
29	G	A	0.0000
30	S	A	-0.8898
31	H	A	-1.5507
32	L	A	0.0000
33	V	A	-0.4366
34	D	A	-1.9917
35	M	A	-1.1015
36	L	A	0.0000
37	P	A	-1.3037
38	D	A	-1.9102
39	Y	A	-0.3873
40	C	A	0.0000
41	G	A	-2.1669
42	E	A	-3.1264
43	R	A	-2.9663
44	G	A	-1.5061
45	F	A	0.3057
46	F	A	1.9252
47	Y	A	1.0584
48	S	A	-0.3145
49	P	A	-1.0085
50	H	A	-2.0351
51	K	A	-2.3656