Project name: ID8 [mutate: WF16A, NF17C, YF15B, WF19E, IF14D, LF13F]

Chain sequence(s)	A: SWSEFPDTQTWLLIYWNKW; C: SWSEFPDTQTWLLIYWNKW; B: SWSEFPDTQTWLLIYWNKW; E: SWSEFPDTQTWLLIYWNKW; D: SWSEFPDTQTWLLIYWNKW; F: SWSEFPDTQTWLLIYWNKW
Selected Chain(s)	A,B,C,D,E,F
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	WF19E,IF14D,WF16A,YF15B,LF13F,NF17C
Energy difference between WT (input) and mutated protein (by FoldX)	3.07964 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 all 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                                                       (00:03:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:04:35)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:41)

• Minimal score value: -2.1257
• Maximal score value: 1.975
• Average score: -0.1385
• Total score value: -15.7859

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	S	A	0.0106
2	W	A	1.1279
3	S	A	-0.1853
4	E	A	-2.0528
5	F	A	-0.1384
6	P	A	-0.0049
7	D	A	-0.8675
8	T	A	-0.3040
9	Q	A	-0.4001
10	T	A	-0.0575
11	W	A	0.2717
12	L	A	0.3947
13	L	A	0.3694
14	I	A	0.0000
15	Y	A	1.3153
16	F	A	0.0000	mutated: WF16A
17	N	A	-0.9948
18	K	A	-1.6027
19	W	A	0.8655
1	S	B	0.0098
2	W	B	1.1278
3	S	B	-0.1834
4	E	B	-2.0925
5	F	B	0.0000
6	P	B	-0.0955
7	D	B	-1.2080
8	T	B	-0.3898
9	Q	B	-0.4931
10	T	B	-0.0720
11	W	B	0.1706
12	L	B	0.0000
13	L	B	0.4793
14	I	B	0.0000
15	F	B	0.7964	mutated: YF15B
16	W	B	0.0000
17	N	B	-1.5943
18	K	B	-1.7129
19	W	B	0.8610
1	S	C	0.0110
2	W	C	1.1286
3	S	C	-0.1761
4	E	C	-2.1257
5	F	C	0.0000
6	P	C	-0.0772
7	D	C	-1.1208
8	T	C	-0.3331
9	Q	C	-0.2990
10	T	C	-0.0344
11	W	C	0.1938
12	L	C	0.0000
13	L	C	0.4843
14	I	C	0.0000
15	Y	C	0.4738
16	W	C	0.3911
17	F	C	0.6264	mutated: NF17C
18	K	C	-1.2965
19	W	C	0.8623
1	S	D	0.0114
2	W	D	1.1268
3	S	D	-0.3547
4	E	D	-2.1195
5	F	D	0.0000
6	P	D	-0.0470
7	D	D	-0.9362
8	T	D	-0.3049
9	Q	D	-0.3408
10	T	D	-0.0736
11	W	D	0.1896
12	L	D	0.0000
13	L	D	0.4793
14	F	D	0.0000	mutated: IF14D
15	Y	D	1.3153
16	W	D	0.0000
17	N	D	-1.5920
18	K	D	-1.7109
19	W	D	0.8605
1	S	E	0.0131
2	W	E	1.1281
3	S	E	-0.1777
4	E	E	-2.0387
5	F	E	-0.1375
6	P	E	-0.0268
7	D	E	-0.9619
8	T	E	-0.3333
9	Q	E	-0.4670
10	T	E	-0.0732
11	W	E	0.2182
12	L	E	0.0000
13	L	E	0.3452
14	I	E	0.0000
15	Y	E	1.3153
16	W	E	0.0000
17	N	E	-1.5273
18	K	E	-1.2089
19	F	E	1.6855	mutated: WF19E
1	S	F	0.0125
2	W	F	1.1264
3	S	F	-0.1863
4	E	F	-2.0795
5	F	F	0.0000
6	P	F	-0.1068
7	D	F	-1.2027
8	T	F	-0.3950
9	Q	F	-0.5348
10	T	F	-0.0853
11	W	F	0.1835
12	L	F	0.5730
13	F	F	1.9750	mutated: LF13F
14	I	F	0.0000
15	Y	F	0.7338
16	W	F	0.0000
17	N	F	-1.5525
18	K	F	-1.4725
19	W	F	0.9099