Project name: SH3_V111A

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111A
Energy difference between WT (input) and mutated protein (by FoldX)	0.773073 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: 0.2587
• Average score: -0.9949
• Total score value: -59.6955

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	-0.6656
82	S	A	-0.6889
83	H	A	-0.7958
84	M	A	0.2587
85	T	A	0.0000
86	F	A	-0.1148
87	V	A	-0.6277
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	-1.2484
99	D	A	-1.3377
100	L	A	0.0000
101	S	A	-1.9118
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	-2.0828
108	L	A	0.0000
109	Q	A	-0.7402
110	I	A	-0.3691
111	A	A	-0.3929	mutated: VA111A
112	N	A	-1.0944
113	N	A	-2.1250
114	T	A	-1.8781
115	E	A	-2.9018
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3235
119	W	A	-0.9779
120	L	A	-0.0781
121	A	A	0.0000
122	H	A	-0.8045
123	S	A	0.0000
124	L	A	-0.2921
125	T	A	-0.7825
126	T	A	-0.8821
127	G	A	-0.8246
128	Q	A	-1.4211
129	T	A	-0.7247
130	G	A	0.0000
131	Y	A	0.0053
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2854
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1548
140	S	A	-0.1759