Project name: query_structure

Chain sequence(s)	A: AKCIKNGKGCREDQGPPFCCSGFCYRQVGWARGYCKNR
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.8258
• Maximal score value: 1.1884
• Average score: -1.3066
• Total score value: -49.651

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	-0.2790
2	K	A	-1.1858
3	C	A	-0.0520
4	I	A	-0.9067
5	K	A	-2.7494
6	N	A	-3.1526
7	G	A	-2.6581
8	K	A	-3.1089
9	G	A	-2.3539
10	C	A	0.0000
11	R	A	-3.1711
12	E	A	-3.5128
13	D	A	-3.8258
14	Q	A	-2.8417
15	G	A	-1.7829
16	P	A	-0.6933
17	P	A	0.0443
18	F	A	1.1884
19	C	A	0.0000
20	C	A	0.1247
21	S	A	-0.8818
22	G	A	-0.1225
23	F	A	-0.6418
24	C	A	-1.1371
25	Y	A	-1.3236
26	R	A	-1.3603
27	Q	A	-0.3236
28	V	A	0.9926
29	G	A	0.1387
30	W	A	-0.1483
31	A	A	-0.9005
32	R	A	-2.5577
33	G	A	0.0000
34	Y	A	-1.8931
35	C	A	0.0000
36	K	A	-2.9538
37	N	A	-2.9973
38	R	A	-2.6243