Project name: query_structure

Chain sequence(s)	A: ACKGVFDACTPGKNECCPNRVCSDKHKWCKWKL
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.4701
• Maximal score value: 1.6042
• Average score: -1.1892
• Total score value: -39.244

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	-0.2028
2	C	A	-1.0352
3	K	A	-1.7160
4	G	A	-0.6609
5	V	A	1.0306
6	F	A	1.6042
7	D	A	0.0242
8	A	A	-0.5783
9	C	A	-1.2666
10	T	A	-1.7181
11	P	A	-1.9625
12	G	A	-2.0700
13	K	A	-3.0246
14	N	A	-2.8796
15	E	A	-2.8941
16	C	A	-1.6538
17	C	A	-1.1273
18	P	A	-1.2220
19	N	A	-1.3170
20	R	A	-0.7551
21	V	A	-0.4770
22	C	A	-1.4211
23	S	A	-1.9530
24	D	A	-3.4701
25	K	A	-3.4323
26	H	A	-2.7263
27	K	A	-2.9807
28	W	A	-0.6755
29	C	A	0.0000
30	K	A	0.4124
31	W	A	0.7462
32	K	A	-0.6817
33	L	A	0.8400