Project name: insulin_native_file

Chain sequence(s)	A: GIVEQCCTSICSLYQLENYCN; B: FVNQQHLCGSHLVVEALYLLVCGERGFFYTPKT
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]                                                (00:00:01)
[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 all 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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -2.2899
• Maximal score value: 2.6712
• Average score: -0.1286
• Total score value: -6.557

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	-1.1229
2	I	A	0.0000
3	V	A	-0.4759
4	E	A	-0.9077
5	Q	A	-0.4565
6	C	A	0.0000
7	C	A	-0.2011
8	T	A	-0.1043
9	S	A	0.0175
10	I	A	0.3027
11	C	A	0.0000
12	S	A	0.4443
13	L	A	0.8344
14	Y	A	0.9635
15	Q	A	-0.5299
16	L	A	0.0000
17	E	A	-0.7601
18	N	A	-1.1498
19	Y	A	0.1298
20	C	A	-0.5464
21	N	A	-1.4849
1	F	B	2.6712
2	V	B	2.1249
3	N	B	0.0624
4	Q	B	-0.5146
5	H	B	-1.1089
6	L	B	0.0000
7	C	B	-0.3152
8	G	B	-0.7945
9	S	B	-1.0533
10	H	B	-1.5090
11	L	B	0.0000
12	V	B	0.3617
13	E	B	-0.9909
14	A	B	0.0000
15	L	B	0.0000
16	Y	B	1.3155
17	L	B	1.5683
18	V	B	0.8447
19	C	B	0.0000
20	G	B	-0.7475
21	E	B	-2.2629
22	R	B	-2.2899
23	G	B	-0.4811
24	F	B	0.8199
25	F	B	2.4000
26	Y	B	1.8492
27	T	B	0.2997
28	P	B	-0.8391
29	K	B	-1.9785
30	T	B	-0.9418