Project name: SH3_T96M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA96M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.225601 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: 1.2517
• Average score: -0.8369
• Total score value: -50.2131

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	-0.3124
90	Y	A	-0.7364
91	D	A	-2.8522
92	Y	A	-2.0992
93	E	A	-2.7368
94	S	A	0.0000
95	R	A	-2.2273
96	M	A	-1.0159	mutated: TA96M
97	E	A	-1.7943
98	T	A	-0.8721
99	D	A	-0.9325
100	L	A	0.0000
101	S	A	-1.7642
102	F	A	0.0000
103	K	A	-3.4835
104	K	A	-2.8614
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4384
111	V	A	1.2517
112	N	A	-0.4162
113	N	A	-1.8120
114	T	A	-1.7314
115	E	A	-2.9350
116	G	A	-2.6076
117	D	A	-2.6834
118	W	A	-1.3342
119	W	A	-0.6900
120	L	A	0.4149
121	A	A	0.0000
122	H	A	-0.3834
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	-1.4072
129	T	A	-0.4867
130	G	A	0.0000
131	Y	A	0.3628
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2848
135	N	A	-1.2482
136	Y	A	-0.2035
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759