Project name: query_structure

Chain sequence(s)	A: NFDAAPNMPHPGDMNFDAAPNMPHDGDM
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.7716
• Maximal score value: 0.4915
• Average score: -1.0658
• Total score value: -29.8422

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	-0.6451
2	F	A	0.4105
3	D	A	-1.3224
4	A	A	-0.6470
5	A	A	-0.4246
6	P	A	-0.9397
7	N	A	-1.2085
8	M	A	-0.0392
9	P	A	-0.9642
10	H	A	-1.7051
11	P	A	-1.1928
12	G	A	-1.3884
13	D	A	-2.2240
14	M	A	-0.5221
15	N	A	-1.1974
16	F	A	0.4915
17	D	A	-1.6579
18	A	A	-1.0741
19	A	A	-0.4041
20	P	A	-0.6607
21	N	A	-1.3066
22	M	A	-0.1043
23	P	A	-1.0821
24	H	A	-2.5445
25	D	A	-2.7716
26	G	A	-2.3051
27	D	A	-2.1944
28	M	A	-0.2183