Project name: P01 [mutate: WF3A] [mutate: FW3A, IQ2A, IQ4A, IQ6A, IQ8A, IQ13A] [mutate: QI2A, QI4A, QI6A, QI8A, QI13A] [mutate: WF3A, WF7A, WF14A] [mutate: FY3A, FY7A, FY14A] [mutate: YW3A, YW7A, YW14A, IN2A, IN4A, IN6A, IN8A, IN13A]

Chain sequence(s)	A: KIYIKIYIKLLKIY
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YW14A,IN13A,YW3A,IN2A,IN4A,YW7A,IN6A,IN8A
Energy difference between WT (input) and mutated protein (by FoldX)	0.947238 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:10)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -3.6898
• Maximal score value: 0.3042
• Average score: -2.0726
• Total score value: -29.016

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	K	A	-2.9355
2	N	A	-2.7266	mutated: IN2A
3	W	A	-1.6792	mutated: YW3A
4	N	A	-3.0397	mutated: IN4A
5	K	A	-3.6898
6	N	A	-2.9431	mutated: IN6A
7	W	A	-1.7858	mutated: YW7A
8	N	A	-2.3664	mutated: IN8A
9	K	A	-2.8649
10	L	A	-1.2711
11	L	A	-0.4744
12	K	A	-2.0646
13	N	A	-1.4791	mutated: IN13A
14	W	A	0.3042	mutated: YW14A