Project name: query_structure

Chain sequence(s)	A: EDKCSPSGAICSGFGPPEQCCSGACVLNRRARSWRCQ
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -3.3678
• Maximal score value: 1.7318
• Average score: -0.8975
• Total score value: -33.2085

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	E	A	-3.1231
2	D	A	-3.3463
3	K	A	-3.2619
4	C	A	-2.0430
5	S	A	-0.8900
6	P	A	-0.6548
7	S	A	-0.4666
8	G	A	-0.1908
9	A	A	0.5044
10	I	A	1.6659
11	C	A	0.0000
12	S	A	0.8062
13	G	A	1.1053
14	F	A	1.7318
15	G	A	0.0917
16	P	A	-0.8894
17	P	A	-1.1348
18	E	A	-2.4724
19	Q	A	-1.6655
20	C	A	0.0000
21	C	A	-0.7827
22	S	A	-0.7515
23	G	A	-1.1437
24	A	A	-0.7480
25	C	A	0.1377
26	V	A	0.3267
27	L	A	-0.4860
28	N	A	-1.9570
29	R	A	-3.3678
30	R	A	-3.3664
31	A	A	-2.1311
32	R	A	-3.0587
33	S	A	-1.0110
34	W	A	0.4530
35	R	A	-0.1237
36	C	A	0.0000
37	Q	A	-0.9650