Project name: query_structure

Chain sequence(s)	A: ADCNGACSPFEVPPCRSRDCRCVPIGLFVGFCIHPTG
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.4572
• Maximal score value: 3.1791
• Average score: -0.1406
• Total score value: -5.2028

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	A	A	-1.1210
2	D	A	-2.4617
3	C	A	0.0000
4	N	A	-1.6597
5	G	A	-0.4862
6	A	A	0.6528
7	C	A	0.0000
8	S	A	0.6153
9	P	A	0.5423
10	F	A	1.3454
11	E	A	-0.2174
12	V	A	0.7091
13	P	A	-0.5759
14	P	A	-0.3727
15	C	A	-1.7327
16	R	A	-3.0736
17	S	A	-2.8584
18	R	A	-3.3983
19	D	A	-3.4572
20	C	A	0.0000
21	R	A	-2.4536
22	C	A	-0.0586
23	V	A	1.4104
24	P	A	1.9430
25	I	A	3.1791
26	G	A	2.7608
27	L	A	3.0590
28	F	A	3.1225
29	V	A	2.4948
30	G	A	0.0000
31	F	A	1.7924
32	C	A	0.0000
33	I	A	-0.3626
34	H	A	-1.8869
35	P	A	-1.1218
36	T	A	-0.5978
37	G	A	-0.9336