Project name: query_structure

Chain sequence(s)	A: ESCVFIPCISGVIGCSCKSKVCYRNGIPCG
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: -1.9471
• Maximal score value: 3.0013
• Average score: 0.4997
• Total score value: 14.9909

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	-0.1697
2	S	A	0.3554
3	C	A	1.0457
4	V	A	1.4337
5	F	A	2.7397
6	I	A	2.7086
7	P	A	1.5348
8	C	A	1.7957
9	I	A	2.8196
10	S	A	1.8430
11	G	A	1.6974
12	V	A	3.0013
13	I	A	2.7553
14	G	A	0.7899
15	C	A	0.0000
16	S	A	-0.2583
17	C	A	-0.3224
18	K	A	-1.9471
19	S	A	-1.3513
20	K	A	-1.2250
21	V	A	-0.6282
22	C	A	0.0000
23	Y	A	-0.7919
24	R	A	-1.2759
25	N	A	-1.5435
26	G	A	-0.7222
27	I	A	0.9325
28	P	A	0.0077
29	C	A	0.1828
30	G	A	-0.4167