Project name: Human Epidermal Growth Factor

Chain sequence(s)	A: CPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDL; B: CPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWW
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]                                                (00:01:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:01:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:50)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -2.2459
• Maximal score value: 2.6906
• Average score: -0.0987
• Total score value: -8.5854

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
6	C	A	1.1120
7	P	A	0.1647
8	L	A	0.0820
9	S	A	-0.8138
10	H	A	-1.7634
11	D	A	-2.0043
12	G	A	-1.3553
13	Y	A	-0.1626
14	C	A	-0.6114
15	L	A	-0.5185
16	H	A	-0.4820
17	D	A	-1.2214
18	G	A	-0.0141
19	V	A	1.0332
20	C	A	0.0000
21	M	A	0.8900
22	Y	A	0.0748
23	I	A	-0.6343
24	E	A	-1.8868
25	A	A	-0.6581
26	L	A	-0.2552
27	D	A	-2.2245
28	K	A	-1.9029
29	Y	A	-0.5658
30	A	A	-0.3168
31	C	A	0.0407
32	N	A	-0.3288
33	C	A	0.4857
34	V	A	1.3222
35	V	A	1.7042
36	G	A	1.0648
37	Y	A	0.9035
38	I	A	1.4677
39	G	A	-0.2444
40	E	A	-1.6630
41	R	A	-0.8203
42	C	A	0.0000
43	Q	A	-0.0245
44	Y	A	0.7843
45	R	A	0.1821
46	D	A	-0.3576
47	L	A	0.5438
6	C	B	0.4049
7	P	B	0.2081
8	L	B	1.2670
9	S	B	-0.5807
10	H	B	-1.6064
11	D	B	-1.9134
12	G	B	-1.3966
13	Y	B	-0.8246
14	C	B	0.0000
15	L	B	-0.6977
16	H	B	-0.6771
17	D	B	-1.3081
18	G	B	0.2538
19	V	B	1.3988
20	C	B	1.3850
21	M	B	1.3871
22	Y	B	0.6186
23	I	B	-0.6031
24	E	B	-2.0264
25	A	B	-0.9228
26	L	B	-0.4339
27	D	B	-2.2459
28	K	B	-1.3327
29	Y	B	0.8032
30	A	B	0.3258
31	C	B	0.4716
32	N	B	0.5959
33	C	B	0.7889
34	V	B	1.7646
35	V	B	2.6906
36	G	B	0.0000
37	Y	B	1.2282
38	I	B	1.1962
39	G	B	-0.4108
40	E	B	-1.7636
41	R	B	-0.6957
42	C	B	0.0000
43	Q	B	0.0000
44	Y	B	0.4828
45	R	B	0.3049
46	D	B	0.3600
47	L	B	-0.0211
48	K	B	-0.8628
49	W	B	1.1292
50	W	B	1.6469