Project name: query_structure

Chain sequence(s)	A: GTPVGNNKCWAIGTTCSDDCDCCPEHHCHCPAGKWLPGLFRCTCQVTESDKVNKCPPAE
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.3135
• Maximal score value: 2.1834
• Average score: -0.505
• Total score value: -29.7933

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	-0.3672
2	T	A	-0.4172
3	P	A	-0.0128
4	V	A	0.4786
5	G	A	-0.9925
6	N	A	-1.8452
7	N	A	-1.8599
8	K	A	-1.9330
9	C	A	0.0385
10	W	A	0.9073
11	A	A	1.1408
12	I	A	2.1834
13	G	A	0.7819
14	T	A	0.2457
15	T	A	-0.2717
16	C	A	-0.5741
17	S	A	-1.3185
18	D	A	-3.0834
19	D	A	-3.3135
20	C	A	0.0000
21	D	A	0.0000
22	C	A	0.0000
23	C	A	-0.4534
24	P	A	0.0000
25	E	A	-1.7749
26	H	A	-0.3812
27	H	A	-0.6492
28	C	A	-0.2329
29	H	A	-0.6782
30	C	A	0.3592
31	P	A	0.2069
32	A	A	0.1306
33	G	A	0.0334
34	K	A	-0.7566
35	W	A	1.0467
36	L	A	1.5417
37	P	A	0.7029
38	G	A	0.6134
39	L	A	1.7309
40	F	A	1.6790
41	R	A	-0.4817
42	C	A	-0.2087
43	T	A	-0.1124
44	C	A	0.0000
45	Q	A	0.2384
46	V	A	0.7832
47	T	A	-1.2890
48	E	A	-2.5030
49	S	A	-2.3400
50	D	A	-2.8986
51	K	A	-3.0022
52	V	A	-1.5167
53	N	A	0.0000
54	K	A	-2.1950
55	C	A	-1.6835
56	P	A	-1.0515
57	P	A	-1.4240
58	A	A	-1.3073
59	E	A	-1.7068