Project name: query_structure

Chain sequence(s)	A: ESCVWIPCLTSTVGCSCKSKVCYRNGIPCG
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.9498
• Maximal score value: 2.0658
• Average score: 0.0667
• Total score value: 2.0021

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	E	A	-0.4894
2	S	A	0.0025
3	C	A	0.6324
4	V	A	0.9642
5	W	A	1.8937
6	I	A	2.0658
7	P	A	1.1116
8	C	A	0.0000
9	L	A	1.7192
10	T	A	0.9143
11	S	A	0.6033
12	T	A	0.8739
13	V	A	1.5416
14	G	A	0.0248
15	C	A	0.0000
16	S	A	-0.5438
17	C	A	-0.5491
18	K	A	-1.9498
19	S	A	-1.3488
20	K	A	-1.3868
21	V	A	-0.5347
22	C	A	0.0000
23	Y	A	-0.7490
24	R	A	-1.2066
25	N	A	-1.4814
26	G	A	-0.6585
27	I	A	0.9910
28	P	A	0.0052
29	C	A	0.0735
30	G	A	-0.5170