Project name: insulin_all_three

Chain sequence(s)	A: GIVEQCCGNICSLKQLEKYCDNEDKELCGSHLVDMLPDYCGERGFFYSTHK
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -4.4768
• Maximal score value: 2.4446
• Average score: -1.582
• Total score value: -80.6821

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	-1.0202
2	I	A	-0.7548
3	V	A	-0.8981
4	E	A	-2.6220
5	Q	A	-2.0264
6	C	A	0.0000
7	C	A	-1.1811
8	G	A	-1.6565
9	N	A	-0.6475
10	I	A	2.1145
11	C	A	0.0000
12	S	A	-0.5423
13	L	A	-1.2024
14	K	A	-2.8769
15	Q	A	-2.1610
16	L	A	0.0000
17	E	A	-3.0848
18	K	A	-3.4740
19	Y	A	-3.1407
20	C	A	-3.7441
21	D	A	-4.0807
22	N	A	-4.3413
23	E	A	-4.2529
24	D	A	-4.4768
25	K	A	-4.4572
26	E	A	-3.5619
27	L	A	-2.6998
28	C	A	-2.2100
29	G	A	-1.4645
30	S	A	-1.1113
31	H	A	-1.7867
32	L	A	0.0000
33	V	A	-0.9061
34	D	A	-2.2027
35	M	A	-1.2198
36	L	A	0.0000
37	P	A	-1.2672
38	D	A	-1.8631
39	Y	A	-0.2235
40	C	A	0.0000
41	G	A	-2.1245
42	E	A	-3.1254
43	R	A	-3.0288
44	G	A	-1.4513
45	F	A	0.4558
46	F	A	2.4446
47	Y	A	1.8273
48	S	A	0.3549
49	T	A	-0.7320
50	H	A	-1.8625
51	K	A	-2.3964