Project name: query_structure

Chain sequence(s)	A: YITCLFRGARCRVYSGRSCCFGYYCRRDFPGSIFGTCSRRNF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.9588
• Maximal score value: 2.6508
• Average score: -0.4676
• Total score value: -19.6397

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	Y	A	2.2967
2	I	A	2.6508
3	T	A	1.4542
4	C	A	0.9342
5	L	A	0.3195
6	F	A	0.6502
7	R	A	-1.7518
8	G	A	-1.4901
9	A	A	-1.1223
10	R	A	-2.2192
11	C	A	0.0000
12	R	A	-0.7962
13	V	A	0.9100
14	Y	A	1.4387
15	S	A	-0.1403
16	G	A	-1.1516
17	R	A	-1.9429
18	S	A	-0.6185
19	C	A	-0.0089
20	C	A	0.0000
21	F	A	1.7486
22	G	A	-0.0084
23	Y	A	-0.8192
24	Y	A	-0.7360
25	C	A	-1.9643
26	R	A	-2.9588
27	R	A	-2.5447
28	D	A	-1.8891
29	F	A	0.4127
30	P	A	-0.0156
31	G	A	-0.0781
32	S	A	0.4478
33	I	A	1.8425
34	F	A	0.3135
35	G	A	-1.6529
36	T	A	-2.1736
37	C	A	0.0000
38	S	A	-2.4835
39	R	A	-2.9208
40	R	A	-2.6012
41	N	A	-1.6477
42	F	A	0.6766