Project name: query_structure

Chain sequence(s)	A: PPINMANMAPPINMACMNPINMANMANPINMACM
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -0.696
• Maximal score value: 2.1811
• Average score: 0.7303
• Total score value: 24.8287

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	P	A	0.1887
2	P	A	0.3272
3	I	A	1.3285
4	N	A	-0.0719
5	M	A	0.9234
6	A	A	0.4784
7	N	A	-0.3558
8	M	A	0.7512
9	A	A	0.6480
10	P	A	0.3806
11	P	A	0.5518
12	I	A	1.9036
13	N	A	0.2548
14	M	A	1.1435
15	A	A	1.1049
16	C	A	1.0088
17	M	A	0.3908
18	N	A	-0.6960
19	P	A	0.2778
20	I	A	0.9131
21	N	A	-0.5241
22	M	A	0.4822
23	A	A	0.1193
24	N	A	-0.0460
25	M	A	0.9170
26	A	A	0.5677
27	N	A	0.4161
28	P	A	0.8553
29	I	A	2.1811
30	N	A	1.2666
31	M	A	1.7890
32	A	A	1.6347
33	C	A	1.8784
34	M	A	1.8400