Project name: SH3_V87R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA87R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.304551 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: -3.7004
• Maximal score value: 1.2498
• Average score: -1.0233
• Total score value: -61.3993

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2774
85	T	A	0.0000
86	F	A	-1.0182
87	R	A	-2.5116	mutated: VA87R
88	A	A	0.0000
89	L	A	-0.8967
90	Y	A	-1.0113
91	D	A	-2.8720
92	Y	A	-2.1162
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.7004
104	K	A	-3.2521
105	G	A	-2.5597
106	E	A	0.0000
107	R	A	-2.7440
108	L	A	0.0000
109	Q	A	-0.4908
110	I	A	0.4426
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2865
135	N	A	-1.2633
136	Y	A	-0.5124
137	V	A	0.0000
138	A	A	-0.6050
139	P	A	-0.6009
140	S	A	-0.7060