Project name: SH3_V88R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA88R
Energy difference between WT (input) and mutated protein (by FoldX)	0.173714 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: -3.1028
• Maximal score value: 1.3966
• Average score: -1.0783
• Total score value: -61.4654

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
85	T	A	0.3737
86	L	A	0.4763
87	F	A	0.2308
88	R	A	-0.9784	mutated: VA88R
89	A	A	0.0000
90	L	A	-0.5484
91	Y	A	-0.7703
92	D	A	-2.5689
93	Y	A	-1.9369
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.8933
105	K	A	-2.6845
106	G	A	-1.9003
107	E	A	-1.7404
108	K	A	-1.2307
109	F	A	0.0000
110	Q	A	-0.6801
111	I	A	-0.0560
112	L	A	0.1430
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1529
122	A	A	0.0000
123	R	A	-1.7034
124	S	A	0.0000
125	L	A	-0.0493
126	T	A	-0.4497
127	T	A	-0.8074
128	G	A	-1.3446
129	E	A	-2.2334
130	T	A	-1.6879
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9213
136	N	A	-1.1575
137	Y	A	-0.3564
138	V	A	0.0000
139	A	A	-0.0493
140	P	A	0.4114
141	V	A	1.3966