Project name: query_structure

Chain sequence(s)	A: RNGIPCGESCVYLPCFTAPLGCSCSSKVCG
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.4308
• Maximal score value: 2.0749
• Average score: 0.3701
• Total score value: 11.1025

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	R	A	-2.4308
2	N	A	-1.9443
3	G	A	-0.7490
4	I	A	1.0340
5	P	A	0.2816
6	C	A	0.8225
7	G	A	0.1190
8	E	A	0.2260
9	S	A	0.5791
10	C	A	1.0193
11	V	A	1.2651
12	Y	A	1.7760
13	L	A	1.6482
14	P	A	1.1022
15	C	A	0.0000
16	F	A	2.0749
17	T	A	1.3222
18	A	A	0.9432
19	P	A	0.7739
20	L	A	1.5423
21	G	A	0.4086
22	C	A	0.7881
23	S	A	0.2034
24	C	A	0.4389
25	S	A	-0.5211
26	S	A	-0.8082
27	K	A	-0.6937
28	V	A	0.1933
29	C	A	0.0000
30	G	A	-0.3122