Project name: query_structure

Chain sequence(s)	A: RLCGERCVIERTRAWCRTVGCICSLHTLECVRNG
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.2181
• Maximal score value: 1.4464
• Average score: -0.2641
• Total score value: -8.9801

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	-1.6569
2	L	A	0.0566
3	C	A	-0.3556
4	G	A	-0.7059
5	E	A	0.0000
6	R	A	-1.5112
7	C	A	0.0000
8	V	A	0.1588
9	I	A	0.9377
10	E	A	-1.1332
11	R	A	-2.2181
12	T	A	-1.7369
13	R	A	-1.7375
14	A	A	0.1791
15	W	A	0.6059
16	C	A	-0.0790
17	R	A	-1.2738
18	T	A	0.0135
19	V	A	1.2299
20	G	A	-0.0309
21	C	A	0.0405
22	I	A	1.4464
23	C	A	0.7173
24	S	A	0.8016
25	L	A	1.3748
26	H	A	-0.0362
27	T	A	0.0613
28	L	A	1.1816
29	E	A	-0.2152
30	C	A	0.0000
31	V	A	-0.2764
32	R	A	-1.2976
33	N	A	-1.7583
34	G	A	-1.7624