Project name: query_structure

Chain sequence(s)	A: CLPERFQCAVPGYCIPLPGVCDGVNDCQEDSDEPNCRAPGLR
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -3.1023
• Maximal score value: 1.2478
• Average score: -0.6891
• Total score value: -28.9411

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	C	A	0.8451
2	L	A	1.2478
3	P	A	0.0165
4	E	A	-0.6481
5	R	A	-0.1301
6	F	A	0.1255
7	Q	A	-0.5301
8	C	A	0.0000
9	A	A	-0.7435
10	V	A	-0.5693
11	P	A	-0.2540
12	G	A	-0.2796
13	Y	A	-0.0208
14	C	A	0.3447
15	I	A	0.0000
16	P	A	0.0310
17	L	A	0.4529
18	P	A	-0.0969
19	G	A	0.0000
20	V	A	-0.2689
21	C	A	-0.6280
22	D	A	-0.8618
23	G	A	-0.4817
24	V	A	-0.0740
25	N	A	-2.0168
26	D	A	-1.6449
27	C	A	0.0000
28	Q	A	-2.5729
29	E	A	-3.1023
30	D	A	-2.7130
31	S	A	-1.9146
32	D	A	0.0000
33	E	A	-1.7396
34	P	A	-1.7000
35	N	A	-1.8834
36	C	A	-1.4111
37	R	A	-2.1844
38	A	A	-0.9910
39	P	A	-0.6774
40	G	A	-0.5915
41	L	A	0.1159
42	R	A	-1.3908