Project name: query_structure

Chain sequence(s)	A: CMANQFKCRSSRTCLLPGWVCDGIDDCPDGSDESPVTCPTPT
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.8063
• Maximal score value: 1.5122
• Average score: -0.4602
• Total score value: -19.3293

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	0.4739
2	M	A	0.8983
3	A	A	-0.0391
4	N	A	-0.8312
5	Q	A	-0.1229
6	F	A	-0.6291
7	K	A	-2.1337
8	C	A	0.0000
9	R	A	-2.8063
10	S	A	-1.9579
11	S	A	0.0000
12	R	A	-2.4386
13	T	A	-1.4823
14	C	A	-0.6025
15	L	A	0.0000
16	L	A	0.5490
17	P	A	-0.2603
18	G	A	-0.1500
19	W	A	0.2276
20	V	A	-0.1034
21	C	A	-0.4136
22	D	A	-1.3833
23	G	A	-0.6857
24	I	A	0.1317
25	D	A	-1.7160
26	D	A	-1.2332
27	C	A	0.0000
28	P	A	-1.3793
29	D	A	-1.6140
30	G	A	-1.3495
31	S	A	0.0000
32	D	A	0.0000
33	E	A	-0.5787
34	S	A	-0.0015
35	P	A	0.4906
36	V	A	1.5122
37	T	A	0.8149
38	C	A	0.1529
39	P	A	0.0866
40	T	A	-0.1239
41	P	A	-0.3813
42	T	A	-0.2497