Project name: SH3_V111F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.179202 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.4838
• Maximal score value: 1.5944
• Average score: -0.8478
• Total score value: -50.8665

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
81	G	A	-0.3962
82	S	A	-0.6362
83	H	A	-0.7571
84	M	A	0.3264
85	T	A	0.0000
86	F	A	-0.0282
87	V	A	-0.5819
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1605
97	E	A	-2.3591
98	T	A	-1.2500
99	D	A	-1.3400
100	L	A	0.0000
101	S	A	-1.9092
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.9785
108	L	A	0.0000
109	Q	A	0.1614
110	I	A	0.7237
111	F	A	1.5944	mutated: VA111F
112	N	A	-0.1392
113	N	A	-1.7022
114	T	A	-1.6639
115	E	A	-2.9059
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3311
119	W	A	-0.6160
120	L	A	0.5844
121	A	A	0.0000
122	H	A	-0.1299
123	S	A	0.0000
124	L	A	-0.1365
125	T	A	-0.7429
126	T	A	-0.8497
127	G	A	-0.7812
128	Q	A	-1.3750
129	T	A	-0.3913
130	G	A	0.0000
131	Y	A	0.2282
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2905
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1192
140	S	A	-0.1759