Project name: query_structure

Chain sequence(s)	A: INMPNMVGNMIMMVINMPNMVGNMIMMVINMPNMVGNMIMMVINMPNMVGNMIMMV
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -0.6395
• Maximal score value: 3.7012
• Average score: 1.6199
• Total score value: 90.7119

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	I	A	1.4443
2	N	A	0.0336
3	M	A	1.0234
4	P	A	0.2290
5	N	A	-0.5252
6	M	A	0.7618
7	V	A	1.1148
8	G	A	0.3678
9	N	A	0.4713
10	M	A	2.0021
11	I	A	3.1138
12	M	A	2.8260
13	M	A	2.9158
14	V	A	3.5061
15	I	A	2.9738
16	N	A	1.0943
17	M	A	1.7871
18	P	A	0.3906
19	N	A	-0.6395
20	M	A	0.6014
21	V	A	1.0265
22	G	A	0.2730
23	N	A	0.4560
24	M	A	1.9942
25	I	A	3.0965
26	M	A	2.8944
27	M	A	3.0275
28	V	A	3.6116
29	I	A	3.2144
30	N	A	1.2429
31	M	A	1.9120
32	P	A	0.4702
33	N	A	-0.5197
34	M	A	0.7026
35	V	A	0.9830
36	G	A	0.4742
37	N	A	0.4247
38	M	A	1.9023
39	I	A	2.9605
40	M	A	2.8623
41	M	A	2.9199
42	V	A	3.4947
43	I	A	3.1986
44	N	A	1.3798
45	M	A	1.5372
46	P	A	0.3612
47	N	A	-0.4250
48	M	A	0.6894
49	V	A	1.2326
50	G	A	0.7500
51	N	A	1.0255
52	M	A	2.7178
53	I	A	3.7012
54	M	A	3.1861
55	M	A	3.1147
56	V	A	3.3268