Project name: SH3_V88Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA88Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.473133 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: 1.5789
• Average score: -1.0052
• Total score value: -57.2937

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	0.4220
86	L	A	0.6187
87	F	A	0.5483
88	Q	A	-0.3466	mutated: VA88Q
89	A	A	0.0000
90	L	A	-0.2677
91	Y	A	-0.6239
92	D	A	-2.5150
93	Y	A	-1.9265
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	-2.7463
105	K	A	-2.4292
106	G	A	-1.4575
107	E	A	-1.3979
108	K	A	-0.8203
109	F	A	0.0000
110	Q	A	-0.5904
111	I	A	-0.0417
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	-1.6836
124	S	A	0.0000
125	L	A	0.0457
126	T	A	-0.3957
127	T	A	-0.7938
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	-0.9202
136	N	A	-1.1443
137	Y	A	-0.2543
138	V	A	0.0000
139	A	A	0.1678
140	P	A	0.5515
141	V	A	1.5789