Project name: query_structure

Chain sequence(s)	A: PFTDVDCSVSKECWSVCKDLFGVDRGKCMGKKCRCYQ
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.477
• Maximal score value: 1.0344
• Average score: -1.319
• Total score value: -48.8045

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	0.3409
2	F	A	1.0344
3	T	A	0.0000
4	D	A	-2.0767
5	V	A	-1.6418
6	D	A	-3.0131
7	C	A	0.0000
8	S	A	-1.0739
9	V	A	-0.2347
10	S	A	-1.4858
11	K	A	-2.3026
12	E	A	-1.8326
13	C	A	0.0000
14	W	A	-2.2460
15	S	A	-1.9017
16	V	A	-1.2471
17	C	A	0.0000
18	K	A	-2.7305
19	D	A	-1.8411
20	L	A	0.3581
21	F	A	-0.2908
22	G	A	-1.5160
23	V	A	-1.9836
24	D	A	-3.4770
25	R	A	-3.4003
26	G	A	0.0000
27	K	A	-2.1255
28	C	A	-1.4702
29	M	A	-0.9900
30	G	A	-1.9214
31	K	A	-3.0845
32	K	A	-2.9288
33	C	A	0.0000
34	R	A	-1.2409
35	C	A	0.0000
36	Y	A	-0.9038
37	Q	A	-1.5775