Project name: query_structure

Chain sequence(s)	A: GGCLPHNRFCNALSGPRCCSGLKCKELSIWDSRCL
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.355
• Maximal score value: 2.1563
• Average score: -0.7807
• Total score value: -27.3261

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	G	A	-0.6548
2	G	A	-0.7448
3	C	A	-0.7415
4	L	A	-1.3950
5	P	A	-1.3513
6	H	A	-1.6642
7	N	A	-2.1996
8	R	A	-1.9839
9	F	A	-0.1966
10	C	A	0.0000
11	N	A	-1.5178
12	A	A	-0.8434
13	L	A	0.6480
14	S	A	-0.3735
15	G	A	-0.9392
16	P	A	-1.4304
17	R	A	-2.2062
18	C	A	-1.3693
19	C	A	-0.2172
20	S	A	-0.4679
21	G	A	-0.5474
22	L	A	-1.2202
23	K	A	-2.3550
24	C	A	0.0000
25	K	A	-2.3320
26	E	A	-1.9254
27	L	A	0.1143
28	S	A	0.6939
29	I	A	2.1563
30	W	A	1.4708
31	D	A	-0.0007
32	S	A	-1.0248
33	R	A	-1.8043
34	C	A	0.0000
35	L	A	-0.9030