Project name: SH3_T96I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA96I
Energy difference between WT (input) and mutated protein (by FoldX)	0.0265748 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: -3.4835
• Maximal score value: 1.2501
• Average score: -0.7898
• Total score value: -47.3856

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	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3122
90	Y	A	-0.7361
91	D	A	-2.8518
92	Y	A	-2.0977
93	E	A	-2.6186
94	S	A	0.0000
95	R	A	-1.7591
96	I	A	-0.0547	mutated: TA96I
97	E	A	-1.3270
98	T	A	-0.5726
99	D	A	-0.6321
100	L	A	0.0000
101	S	A	-1.6542
102	F	A	0.0000
103	K	A	-3.4835
104	K	A	-2.8612
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4375
111	V	A	1.2501
112	N	A	-0.4193
113	N	A	-1.8135
114	T	A	-1.7325
115	E	A	-2.9357
116	G	A	-2.6079
117	D	A	-2.6831
118	W	A	-1.3335
119	W	A	-0.6901
120	L	A	0.4143
121	A	A	0.0000
122	H	A	-0.3837
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4068
129	T	A	-0.4856
130	G	A	0.0000
131	Y	A	0.4709
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2846
135	N	A	-1.2482
136	Y	A	-0.2033
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759