Project name: SH3_V111I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.79506 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: 1.2962
• Average score: -0.8883
• Total score value: -53.3002

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	-0.4442
82	S	A	-0.6771
83	H	A	-0.7873
84	M	A	0.2739
85	T	A	0.0000
86	F	A	-0.0954
87	V	A	-0.6176
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2427
99	D	A	-1.3258
100	L	A	0.0000
101	S	A	-1.9030
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	-2.0594
108	L	A	0.0000
109	Q	A	-0.1959
110	I	A	0.4757
111	I	A	1.2962	mutated: VA111I
112	N	A	-0.3831
113	N	A	-1.8003
114	T	A	-1.7241
115	E	A	-2.9329
116	G	A	-2.6062
117	D	A	-2.6855
118	W	A	-1.3433
119	W	A	-0.6900
120	L	A	0.4233
121	A	A	0.0000
122	H	A	-0.3372
123	S	A	0.0000
124	L	A	-0.2581
125	T	A	-0.7733
126	T	A	-0.8685
127	G	A	-0.8008
128	Q	A	-1.3956
129	T	A	-0.4675
130	G	A	0.0000
131	Y	A	0.2185
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2876
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1468
140	S	A	-0.1759