Project name: query_structure

Chain sequence(s)	A: NFDANMNAINFDANFDANMNAIDNMNDNMNNMNAINFDADNMNNMNAIDNMN
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.9385
• Maximal score value: 0.9061
• Average score: -1.4737
• Total score value: -76.6347

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	-1.1389
2	F	A	0.0848
3	D	A	-1.8167
4	A	A	-1.2358
5	N	A	-1.0893
6	M	A	-0.5818
7	N	A	-1.1776
8	A	A	-0.3822
9	I	A	0.9061
10	N	A	-0.4550
11	F	A	0.6162
12	D	A	-0.9760
13	A	A	-0.8293
14	N	A	-1.2549
15	F	A	-0.0427
16	D	A	-1.9352
17	A	A	-1.6654
18	N	A	-2.0093
19	M	A	-1.5109
20	N	A	-2.4630
21	A	A	-1.6173
22	I	A	-1.4849
23	D	A	-3.2909
24	N	A	-3.1298
25	M	A	-1.7250
26	N	A	-2.7650
27	D	A	-3.9385
28	N	A	-2.8644
29	M	A	-1.6765
30	N	A	-3.0029
31	N	A	-2.2568
32	M	A	-0.5406
33	N	A	-1.6083
34	A	A	-0.7647
35	I	A	0.3419
36	N	A	-1.2417
37	F	A	-0.0391
38	D	A	-1.4801
39	A	A	-1.4561
40	D	A	-2.7697
41	N	A	-2.2766
42	M	A	-1.4456
43	N	A	-2.5843
44	N	A	-2.4038
45	M	A	-1.3420
46	N	A	-2.0225
47	A	A	-1.2296
48	I	A	-0.9810
49	D	A	-2.3624
50	N	A	-1.8901
51	M	A	-0.4701
52	N	A	-1.3594