Project name: query_structure

Chain sequence(s)	A: ESCVYIPCFTAVVGCTCKDKVCYLNGTPCG
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.6996
• Maximal score value: 2.9414
• Average score: 0.2387
• Total score value: 7.1603

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	-0.0716
2	S	A	0.0936
3	C	A	0.7216
4	V	A	1.5003
5	Y	A	2.0420
6	I	A	1.5598
7	P	A	1.0468
8	C	A	0.0000
9	F	A	2.4290
10	T	A	2.0835
11	A	A	2.1196
12	V	A	2.9414
13	V	A	2.7577
14	G	A	1.1129
15	C	A	0.0000
16	T	A	0.0025
17	C	A	-0.4450
18	K	A	-2.1227
19	D	A	-2.6996
20	K	A	-1.8177
21	V	A	-1.0062
22	C	A	0.0000
23	Y	A	-0.7905
24	L	A	-0.3336
25	N	A	-1.3646
26	G	A	-1.1559
27	T	A	-0.5777
28	P	A	-0.5689
29	C	A	0.0924
30	G	A	-0.3888