Project name: query_structure

Chain sequence(s)	A: GTCNTPGCTCSWAVCTRNGLPVCGETCVG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.3736
• Maximal score value: 1.5236
• Average score: 0.1218
• Total score value: 3.5321

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	0.3147
2	T	A	0.1431
3	C	A	-0.2578
4	N	A	-1.1442
5	T	A	-1.0279
6	P	A	-0.8833
7	G	A	-1.0969
8	C	A	-0.6759
9	T	A	-0.4118
10	C	A	0.3795
11	S	A	0.7510
12	W	A	1.5236
13	A	A	1.1676
14	V	A	1.3713
15	C	A	0.0000
16	T	A	0.0000
17	R	A	-0.8971
18	N	A	-1.3736
19	G	A	-0.4671
20	L	A	1.0466
21	P	A	0.7880
22	V	A	1.4202
23	C	A	0.3787
24	G	A	0.0611
25	E	A	-0.0883
26	T	A	0.3728
27	C	A	0.8453
28	V	A	1.0783
29	G	A	0.2142