Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISAAIGCSCKSKVCYRNGIPCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -1.8788
• Maximal score value: 2.3117
• Average score: 0.2449
• Total score value: 7.3484

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	-0.0832
2	S	A	0.1463
3	C	A	0.7826
4	V	A	1.0264
5	W	A	1.9492
6	I	A	2.2557
7	P	A	1.3438
8	C	A	0.0000
9	I	A	2.3117
10	S	A	1.4044
11	A	A	1.1800
12	A	A	1.4252
13	I	A	2.0669
14	G	A	0.4874
15	C	A	0.0000
16	S	A	-0.3399
17	C	A	-0.4905
18	K	A	-1.8788
19	S	A	-1.3580
20	K	A	-1.3647
21	V	A	-0.6755
22	C	A	0.0000
23	Y	A	-0.6822
24	R	A	-0.9729
25	N	A	-1.4270
26	G	A	-0.6746
27	I	A	0.9213
28	P	A	-0.0028
29	C	A	0.2309
30	G	A	-0.2333