Project name: query_structure

Chain sequence(s)	A: ESCVFIPCLTSAIGCSCKSKVCYKNGTIPCG
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -1.5981
• Maximal score value: 2.9321
• Average score: 0.2363
• Total score value: 7.3255

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	-0.2068
2	S	A	0.4023
3	C	A	1.2182
4	V	A	2.2286
5	F	A	2.9321
6	I	A	2.2979
7	P	A	1.2682
8	C	A	0.0000
9	L	A	1.7106
10	T	A	1.0474
11	S	A	0.7415
12	A	A	1.1314
13	I	A	1.8740
14	G	A	0.1642
15	C	A	0.0000
16	S	A	-0.4992
17	C	A	-0.4423
18	K	A	-1.5964
19	S	A	-1.0934
20	K	A	-0.8539
21	V	A	-0.5714
22	C	A	0.0000
23	Y	A	-0.7528
24	K	A	-0.8741
25	N	A	-1.5981
26	G	A	-0.8920
27	T	A	-0.2329
28	I	A	0.5946
29	P	A	-0.1537
30	C	A	0.0000
31	G	A	-0.5185