Project name: query_structure

Chain sequence(s)	A: CGEGLFTCRSTNICISHAWVCDGVDDCEDNSDENNCSAPASEPPGSL
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.3254
• Maximal score value: 1.2783
• Average score: -0.8489
• Total score value: -39.8981

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	0.4015
2	G	A	-0.7972
3	E	A	-1.9803
4	G	A	-1.1500
5	L	A	0.1980
6	F	A	0.1317
7	T	A	-0.1577
8	C	A	0.0000
9	R	A	-2.6027
10	S	A	-2.0517
11	T	A	-1.6839
12	N	A	-1.3430
13	I	A	-0.1735
14	C	A	0.5950
15	I	A	0.0000
16	S	A	0.0357
17	H	A	-0.5712
18	A	A	0.0078
19	W	A	0.4017
20	V	A	-0.0438
21	C	A	-0.6596
22	D	A	-0.9087
23	G	A	-0.7811
24	V	A	-0.0529
25	D	A	-2.1825
26	D	A	-1.4078
27	C	A	0.0000
28	E	A	-3.0657
29	D	A	-3.3254
30	N	A	-2.9976
31	S	A	0.0000
32	D	A	0.0000
33	E	A	-1.5315
34	N	A	-2.2287
35	N	A	-1.6549
36	C	A	-0.5103
37	S	A	-0.4288
38	A	A	-0.1618
39	P	A	-0.5391
40	A	A	-0.4618
41	S	A	-1.3266
42	E	A	-2.4793
43	P	A	-1.7034
44	P	A	-0.9883
45	G	A	-0.7007
46	S	A	-0.2963
47	L	A	1.2783