Project name: query_structure

Chain sequence(s)	A: GIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.5285
• Maximal score value: 2.2054
• Average score: -0.3868
• Total score value: -15.8595

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	-0.3776
2	I	A	0.0785
3	G	A	-0.4750
4	D	A	-0.2294
5	P	A	0.6324
6	V	A	1.4593
7	T	A	0.3485
8	C	A	0.0000
9	L	A	1.1538
10	K	A	-0.6018
11	S	A	-0.3531
12	G	A	-0.6607
13	A	A	0.0000
14	I	A	0.2882
15	C	A	0.6942
16	H	A	0.5409
17	P	A	0.9755
18	V	A	2.2054
19	F	A	1.9007
20	C	A	-0.3040
21	P	A	-1.1661
22	R	A	-2.8628
23	R	A	-3.5285
24	Y	A	-2.7283
25	K	A	-3.0131
26	Q	A	-1.7246
27	I	A	-0.6742
28	G	A	-0.7239
29	T	A	-0.6506
30	C	A	0.0000
31	G	A	-0.1826
32	L	A	0.7402
33	P	A	0.2438
34	G	A	0.2919
35	T	A	0.3368
36	K	A	-0.2544
37	C	A	0.0000
38	C	A	0.0000
39	K	A	-2.1274
40	K	A	-3.2273
41	P	A	-1.8842