Project name: query_structure

Chain sequence(s)	A: NKGCATCSIGIACLVDGPIPDFECAGATGLGLWG
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -2.3457
• Maximal score value: 3.0012
• Average score: 0.7825
• Total score value: 26.6041

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	N	A	-2.1279
2	K	A	-2.3457
3	G	A	-1.1777
4	C	A	0.2303
5	A	A	0.3191
6	T	A	0.8276
7	C	A	1.3242
8	S	A	1.1988
9	I	A	1.6471
10	G	A	1.7159
11	I	A	3.0012
12	A	A	2.0384
13	C	A	1.7020
14	L	A	2.7348
15	V	A	2.0027
16	D	A	-0.2127
17	G	A	-0.1273
18	P	A	0.4373
19	I	A	1.5357
20	P	A	0.6091
21	D	A	0.1748
22	F	A	1.1588
23	E	A	-0.6855
24	C	A	0.2892
25	A	A	0.2859
26	G	A	0.3623
27	A	A	0.6078
28	T	A	0.7759
29	G	A	0.8841
30	L	A	1.7310
31	G	A	1.1367
32	L	A	2.0590
33	W	A	1.8488
34	G	A	0.6424