Project name: query_structure

Chain sequence(s)	A: CVRLHESCLGQQVPCCDPCATCYCRFFNAFCYCRKLGTAMNPCSRT
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -1.8129
• Maximal score value: 2.0904
• Average score: -0.1836
• Total score value: -8.4442

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	C	A	0.5810
2	V	A	0.0000
3	R	A	-1.5492
4	L	A	-0.4854
5	H	A	-1.4218
6	E	A	-0.9826
7	S	A	-0.1056
8	C	A	0.0000
9	L	A	0.7923
10	G	A	-0.7697
11	Q	A	-1.4981
12	Q	A	-1.3788
13	V	A	-0.2331
14	P	A	-0.5666
15	C	A	0.0000
16	C	A	0.4479
17	D	A	-0.5141
18	P	A	-0.0365
19	C	A	0.4217
20	A	A	-0.1993
21	T	A	-0.0716
22	C	A	-0.4635
23	Y	A	-0.0566
24	C	A	0.4920
25	R	A	-0.1612
26	F	A	1.9790
27	F	A	2.0904
28	N	A	0.2689
29	A	A	0.8062
30	F	A	1.1463
31	C	A	0.0000
32	Y	A	-0.4027
33	C	A	0.0000
34	R	A	-0.9217
35	K	A	0.0000
36	L	A	-0.1049
37	G	A	-0.5404
38	T	A	-0.2789
39	A	A	-0.0677
40	M	A	0.3928
41	N	A	-0.7111
42	P	A	-0.6322
43	C	A	-0.1898
44	S	A	-0.7541
45	R	A	-1.8129
46	T	A	-0.9526