Project name: query_structure

Chain sequence(s)	A: EGECGGFWWKCGSGKPACCPKYVCSPKWGLCNFPMP
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.5956
• Maximal score value: 2.634
• Average score: -0.124
• Total score value: -4.4656

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	E	A	-2.4557
2	G	A	-2.0267
3	E	A	-2.3396
4	C	A	-0.4028
5	G	A	0.0000
6	G	A	1.2195
7	F	A	2.6340
8	W	A	2.2446
9	W	A	0.3525
10	K	A	-1.4223
11	C	A	-1.1044
12	G	A	-1.4280
13	S	A	-1.3392
14	G	A	-1.7295
15	K	A	-2.5956
16	P	A	-1.4303
17	A	A	-0.2331
18	C	A	0.5388
19	C	A	0.2513
20	P	A	-0.4578
21	K	A	-0.9455
22	Y	A	1.2760
23	V	A	2.0035
24	C	A	1.0712
25	S	A	0.1685
26	P	A	-0.5775
27	K	A	-1.2554
28	W	A	0.0496
29	G	A	-0.4664
30	L	A	0.0000
31	C	A	0.0000
32	N	A	1.8528
33	F	A	1.6085
34	P	A	0.9255
35	M	A	1.2084
36	P	A	0.3395