Project name: query_structure

Chain sequence(s)	F: IGKEFKRIVQRIKDFLRNLVPRTES
Selected Chain(s)	F
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 F 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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -2.8093
• Maximal score value: 1.4256
• Average score: -0.9866
• Total score value: -23.6776

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
13	I	F	1.2080
14	G	F	-0.6986
15	K	F	-2.5956
16	E	F	-2.3411
17	F	F	-0.4221
18	K	F	-2.4402
19	R	F	-2.8093
20	I	F	-0.8126
21	V	F	-1.0762
22	Q	F	-2.3837
23	R	F	-2.0630
24	I	F	-0.2327
25	K	F	-1.5841
26	D	F	-2.0899
27	F	F	0.5855
28	L	F	0.8431
29	R	F	-1.0723
30	N	F	-0.4371
31	L	F	1.4256
32	V	F	1.3760
33	P	F	-0.5140
34	R	F	-1.8864
35	T	F	-1.5388
36	E	F	-2.1181