Project name: query_structure

Chain sequence(s)	A: EACNLPIVRGPCIAFFPRWAFDAVKGKCVLFPYGGCQGNGNKFYSEKECREYCGVP
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -2.8366
• Maximal score value: 2.8415
• Average score: -0.3411
• Total score value: -19.1009

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	-1.9485
2	A	A	-1.0166
3	C	A	-1.0307
4	N	A	-1.2554
5	L	A	-0.4847
6	P	A	0.0521
7	I	A	0.4260
8	V	A	-0.4787
9	R	A	-1.1621
10	G	A	-0.9275
11	P	A	-0.2089
12	C	A	0.9612
13	I	A	2.5554
14	A	A	2.1804
15	F	A	2.8415
16	F	A	2.5372
17	P	A	1.2208
18	R	A	0.8168
19	W	A	0.3865
20	A	A	0.0000
21	F	A	-0.2590
22	D	A	-0.3279
23	A	A	-0.2049
24	V	A	0.4324
25	K	A	-1.4070
26	G	A	-1.2541
27	K	A	-2.0034
28	C	A	-1.2327
29	V	A	0.3418
30	L	A	1.6706
31	F	A	0.0000
32	P	A	1.0811
33	Y	A	0.7587
34	G	A	0.0000
35	G	A	0.6572
36	C	A	-0.1452
37	Q	A	-1.5843
38	G	A	-1.4026
39	N	A	-0.9510
40	G	A	-1.1250
41	N	A	0.0000
42	K	A	-0.3476
43	F	A	0.0000
44	Y	A	0.9186
45	S	A	-0.7039
46	E	A	-1.7552
47	K	A	-2.7860
48	E	A	-1.9831
49	C	A	0.0000
50	R	A	-2.8366
51	E	A	-2.6038
52	Y	A	-0.6300
53	C	A	-1.2468
54	G	A	-1.1283
55	V	A	-1.3111
56	P	A	-1.1966