Project name: 1SF1_Partially_flded_insulin

Chain sequence(s)	A: GIVEQCCTSICSLYQLENYCN; B: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
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                                          (00:00:19)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.5826
• Maximal score value: 2.478
• Average score: -0.0929
• Total score value: -4.7397

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	0.2970
2	I	A	1.6990
3	V	A	1.1280
4	E	A	-0.7022
5	Q	A	-0.7055
6	C	A	0.0000
7	C	A	-0.1331
8	T	A	-0.1051
9	S	A	0.1080
10	I	A	1.5647
11	C	A	0.0000
12	S	A	0.9973
13	L	A	1.6530
14	Y	A	1.1691
15	Q	A	-0.4736
16	L	A	-0.8383
17	E	A	-1.9066
18	N	A	-2.2817
19	Y	A	-0.4904
20	C	A	-0.4880
21	N	A	-1.7229
1	F	B	1.7694
2	V	B	0.6059
3	N	B	-0.6713
4	Q	B	-1.2324
5	H	B	0.0000
6	L	B	0.0589
7	C	B	-0.2732
8	G	B	-0.6042
9	S	B	-0.7167
10	H	B	-1.1007
11	L	B	-0.2414
12	V	B	0.0671
13	E	B	-0.8157
14	A	B	0.4834
15	L	B	0.0000
16	Y	B	0.3227
17	L	B	1.6571
18	V	B	0.8561
19	C	B	-0.4541
20	G	B	-0.6521
21	E	B	-2.3296
22	R	B	-2.5826
23	G	B	-1.0358
24	F	B	0.8418
25	F	B	2.4780
26	Y	B	1.7946
27	T	B	0.6661
28	P	B	0.0247
29	K	B	-1.3771
30	T	B	-1.0473