Project name: query_structure

Chain sequence(s)	A: EVCSQEAMTGPCRAVMPRWYFDLSKGKCVRFIYGGGGNRNNFESEDYCMVCKAM
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -2.4122
• Maximal score value: 1.8255
• Average score: -0.7133
• Total score value: -38.5185

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	-1.9841
2	V	A	-1.5197
3	C	A	-0.8000
4	S	A	-1.0676
5	Q	A	-2.1176
6	E	A	-2.1322
7	A	A	-1.1600
8	M	A	-0.3418
9	T	A	0.2313
10	G	A	-0.2900
11	P	A	-0.5573
12	C	A	-0.4456
13	R	A	-1.1170
14	A	A	0.3023
15	V	A	1.8255
16	M	A	0.9301
17	P	A	-0.0427
18	R	A	-1.0023
19	W	A	-1.2900
20	Y	A	-0.9091
21	F	A	0.0000
22	D	A	-1.3248
23	L	A	-0.2566
24	S	A	-0.7009
25	K	A	-1.8966
26	G	A	-1.5295
27	K	A	-2.1646
28	C	A	-1.2815
29	V	A	-1.0889
30	R	A	-1.6554
31	F	A	0.2714
32	I	A	1.2801
33	Y	A	0.5650
34	G	A	0.0000
35	G	A	0.0000
36	G	A	-0.8564
37	G	A	-0.8543
38	N	A	-1.4943
39	R	A	-2.4122
40	N	A	0.0000
41	N	A	-1.3470
42	F	A	-1.4586
43	E	A	-2.3505
44	S	A	-1.9518
45	E	A	-2.1966
46	D	A	-1.5836
47	Y	A	-0.0152
48	C	A	0.0000
49	M	A	-0.0944
50	V	A	1.0876
51	C	A	0.0000
52	K	A	-0.7397
53	A	A	0.2804
54	M	A	0.7382