Project name: 8386709ef219a88

Chain sequence(s)	A: AHTSVTCPEGWSECGVAIYGYACGRWGCGHFLNSGPNISPYV
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.2841
• Maximal score value: 2.3428
• Average score: 0.003
• Total score value: 0.1266

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	A	A	-0.4657
2	H	A	-0.9232
3	T	A	-0.4841
4	S	A	-0.5329
5	V	A	-0.0973
6	T	A	-0.4008
7	C	A	-1.0081
8	P	A	-1.4625
9	E	A	-2.2841
10	G	A	-1.7601
11	W	A	-1.5916
12	S	A	-1.5422
13	E	A	-1.9253
14	C	A	-0.3247
15	G	A	0.4817
16	V	A	1.2723
17	A	A	1.5080
18	I	A	2.3428
19	Y	A	1.5679
20	G	A	1.2759
21	Y	A	0.0000
22	A	A	0.0000
23	C	A	0.0000
24	G	A	0.0000
25	R	A	-1.9713
26	W	A	-0.0274
27	G	A	-0.6880
28	C	A	0.0386
29	G	A	0.3251
30	H	A	0.4911
31	F	A	2.2127
32	L	A	1.8178
33	N	A	0.4907
34	S	A	0.2454
35	G	A	-0.2720
36	P	A	-0.7533
37	N	A	-0.7669
38	I	A	-0.0197
39	S	A	0.7975
40	P	A	0.8120
41	Y	A	1.6341
42	V	A	2.1142