Project name: query_structure

Chain sequence(s)	A: GCPRPRGDNPPLTCSQDSDCLAGCVCGPNGFCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -3.6757
• Maximal score value: 1.2268
• Average score: -0.8403
• Total score value: -27.7313

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	-0.5169
2	C	A	-0.3042
3	P	A	-1.2868
4	R	A	-2.5377
5	P	A	-2.8081
6	R	A	-3.6757
7	G	A	-2.8438
8	D	A	-3.3784
9	N	A	-2.8644
10	P	A	-1.3260
11	P	A	-0.3125
12	L	A	1.2206
13	T	A	0.4143
14	C	A	-0.5355
15	S	A	-1.3093
16	Q	A	-2.1772
17	D	A	-2.0652
18	S	A	-1.4156
19	D	A	-1.4244
20	C	A	0.1871
21	L	A	1.2268
22	A	A	0.4603
23	G	A	0.0130
24	C	A	0.4843
25	V	A	0.9435
26	C	A	-0.2962
27	G	A	-0.4643
28	P	A	-0.8227
29	N	A	-1.2492
30	G	A	-0.4772
31	F	A	0.7560
32	C	A	0.5612
33	G	A	0.0929