Project name: m35 [mutate: FA11A]

Chain sequence(s)	A: MPPILRFDHPFLFIIFEEHTQSPIFLGKVVDPTHK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FA11A
Energy difference between WT (input) and mutated protein (by FoldX)	3.10345 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:00:13)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:16)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.4538
• Maximal score value: 4.5802
• Average score: 0.6298
• Total score value: 22.0436

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	M	A	1.1359
2	P	A	0.8046
3	P	A	1.0541
4	I	A	2.4275
5	L	A	1.7339
6	R	A	-0.3644
7	F	A	0.6404
8	D	A	-1.5529
9	H	A	-1.2432
10	P	A	0.1707
11	A	A	0.9137	mutated: FA11A
12	L	A	2.4774
13	F	A	3.1768
14	I	A	4.0042
15	I	A	3.6581
16	F	A	2.0891
17	E	A	-0.6249
18	E	A	-2.4538
19	H	A	-2.3057
20	T	A	-1.7463
21	Q	A	-1.8949
22	S	A	-0.2763
23	P	A	1.8990
24	I	A	3.3624
25	F	A	4.5802
26	L	A	3.8682
27	G	A	1.9384
28	K	A	0.2990
29	V	A	0.7602
30	V	A	0.8548
31	D	A	-0.9193
32	P	A	-1.1704
33	T	A	-1.1044
34	H	A	-1.8178
35	K	A	-2.3307