Project name: query_structure

Chain sequence(s)	A: GVPTDVKCRGSPQCIQPCKDAGMRFGKCMNGKCHCTPK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.1943
• Maximal score value: 0.3526
• Average score: -1.471
• Total score value: -55.8978

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	G	A	-0.5894
2	V	A	0.3526
3	P	A	-0.6450
4	T	A	-1.1658
5	D	A	-2.2372
6	V	A	-1.4553
7	K	A	-2.9138
8	C	A	0.0000
9	R	A	-2.8351
10	G	A	-2.0026
11	S	A	-1.3398
12	P	A	-1.2238
13	Q	A	-2.2497
14	C	A	0.0000
15	I	A	-1.2577
16	Q	A	-2.1568
17	P	A	-1.5775
18	C	A	0.0000
19	K	A	-3.1943
20	D	A	-3.0821
21	A	A	-1.6582
22	G	A	-2.0234
23	M	A	-2.0139
24	R	A	-2.4540
25	F	A	-0.6503
26	G	A	0.0000
27	K	A	-1.2776
28	C	A	-1.7979
29	M	A	-1.3440
30	N	A	-2.0196
31	G	A	-2.3588
32	K	A	-2.8706
33	C	A	0.0000
34	H	A	-0.9164
35	C	A	0.0000
36	T	A	-1.0507
37	P	A	-1.4143
38	K	A	-2.4748