Project name: query_structure

Chain sequence(s)	A: DCGHLHDPCPNDRPGHRTCCIGLQCRYGKCLVR
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.4459
• Maximal score value: 1.9758
• Average score: -1.1161
• Total score value: -36.8298

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	D	A	-1.7721
2	C	A	-0.5022
3	G	A	-0.6830
4	H	A	-0.5464
5	L	A	-0.0150
6	H	A	-1.1645
7	D	A	-1.4581
8	P	A	-1.6881
9	C	A	0.0000
10	P	A	-1.8707
11	N	A	-2.6477
12	D	A	-3.3954
13	R	A	-3.4459
14	P	A	-2.2136
15	G	A	-1.9857
16	H	A	-3.0226
17	R	A	-3.2492
18	T	A	-2.1065
19	C	A	0.0000
20	C	A	0.8822
21	I	A	1.9758
22	G	A	0.6689
23	L	A	0.0000
24	Q	A	-0.7811
25	C	A	-1.9166
26	R	A	-1.8178
27	Y	A	-0.2402
28	G	A	-1.3543
29	K	A	-2.0384
30	C	A	0.0000
31	L	A	-0.3440
32	V	A	0.8443
33	R	A	-0.9419