Project name: insulin_baseline

Chain sequence(s)	A: GIVEQCCCKICSLHQLERKCPPHEDDNCHSHLVFRLWDDCKHRGFFYNEHS
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -4.2326
• Maximal score value: 1.268
• Average score: -1.521
• Total score value: -77.5708

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	-1.0732
2	I	A	-1.1467
3	V	A	-1.5999
4	E	A	-2.3980
5	Q	A	-2.1019
6	C	A	0.0000
7	C	A	0.0000
8	C	A	-0.1266
9	K	A	-1.2754
10	I	A	0.2276
11	C	A	0.0000
12	S	A	-1.1658
13	L	A	-1.2839
14	H	A	-2.4799
15	Q	A	-2.6699
16	L	A	0.0000
17	E	A	-3.0564
18	R	A	-3.7212
19	K	A	-3.1959
20	C	A	-3.0881
21	P	A	-2.1091
22	P	A	-2.0155
23	H	A	-2.6614
24	E	A	-3.8279
25	D	A	-4.2326
26	D	A	-3.7123
27	N	A	-2.9388
28	C	A	-2.4972
29	H	A	-2.0433
30	S	A	-0.9383
31	H	A	-1.0262
32	L	A	-0.6345
33	V	A	-0.0069
34	F	A	0.6052
35	R	A	-1.6270
36	L	A	0.0000
37	W	A	-0.7624
38	D	A	-2.2695
39	D	A	-2.4944
40	C	A	0.0000
41	K	A	-2.8277
42	H	A	-2.9280
43	R	A	-2.8759
44	G	A	-1.4914
45	F	A	0.1432
46	F	A	1.2680
47	Y	A	0.4403
48	N	A	-0.5091
49	E	A	-1.1074
50	H	A	-1.2508
51	S	A	-1.0847