Project name: SH3_V111R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.376856 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: 0.261
• Average score: -1.1141
• Total score value: -66.8445

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	-0.8971
82	S	A	-0.6871
83	H	A	-0.7945
84	M	A	0.2610
85	T	A	0.0000
86	F	A	-0.1119
87	V	A	-0.6262
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	-1.2548
99	D	A	-1.3462
100	L	A	0.0000
101	S	A	-1.9072
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	-2.0771
108	L	A	0.0000
109	Q	A	-1.2421
110	I	A	-1.2958
111	R	A	-2.3057	mutated: VA111R
112	N	A	-2.0486
113	N	A	-2.5842
114	T	A	-2.1103
115	E	A	-2.9127
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3436
119	W	A	-1.3904
120	L	A	-0.7802
121	A	A	0.0000
122	H	A	-1.1999
123	S	A	0.0000
124	L	A	-0.2851
125	T	A	-0.7816
126	T	A	-0.8731
127	G	A	-0.8075
128	Q	A	-1.3921
129	T	A	-0.9239
130	G	A	0.0000
131	Y	A	-0.2437
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2961
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1536
140	S	A	-0.1759