Project name: query_structure

Chain sequence(s)	A: NAINMANALNMANMINALNMANMVNAINMANALNMANMINALNMANMV
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -1.0769
• Maximal score value: 1.9976
• Average score: 0.1452
• Total score value: 6.9697

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	N	A	-0.7882
2	A	A	0.1964
3	I	A	1.1594
4	N	A	-0.6349
5	M	A	0.5670
6	A	A	0.2229
7	N	A	-0.8314
8	A	A	0.0628
9	L	A	0.5644
10	N	A	-0.9875
11	M	A	0.2985
12	A	A	-0.0016
13	N	A	-0.9821
14	M	A	0.6348
15	I	A	0.7803
16	N	A	-0.8857
17	A	A	0.1336
18	L	A	0.5820
19	N	A	-0.5951
20	M	A	0.6175
21	A	A	0.0763
22	N	A	-0.9194
23	M	A	0.6978
24	V	A	0.9640
25	N	A	-0.7441
26	A	A	0.2368
27	I	A	0.8506
28	N	A	-0.6501
29	M	A	0.6219
30	A	A	0.1426
31	N	A	-1.0769
32	A	A	0.0567
33	L	A	0.6257
34	N	A	-0.8879
35	M	A	0.4063
36	A	A	0.1016
37	N	A	-0.8675
38	M	A	0.7560
39	I	A	0.9919
40	N	A	-0.7426
41	A	A	0.2843
42	L	A	0.6980
43	N	A	-0.0420
44	M	A	1.1043
45	A	A	0.7589
46	N	A	-0.1006
47	M	A	1.5164
48	V	A	1.9976