Project name: SH3_S94T

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA94T
Energy difference between WT (input) and mutated protein (by FoldX)	0.708834 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: -3.479
• Maximal score value: 1.2504
• Average score: -0.9267
• Total score value: -55.6048

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	-0.3121
90	Y	A	-0.7357
91	D	A	-2.8476
92	Y	A	-2.0923
93	E	A	-2.8691
94	T	A	-2.1534	mutated: SA94T
95	R	A	-2.7755
96	T	A	-2.1395
97	E	A	-2.3401
98	T	A	-1.2166
99	D	A	-1.2711
100	L	A	0.0000
101	S	A	-1.8742
102	F	A	0.0000
103	K	A	-3.4790
104	K	A	-2.8610
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	0.4378
111	V	A	1.2504
112	N	A	-0.4190
113	N	A	-1.8132
114	T	A	-1.7325
115	E	A	-2.9357
116	G	A	-2.6079
117	D	A	-2.6829
118	W	A	-1.3333
119	W	A	-0.6897
120	L	A	0.4148
121	A	A	0.0000
122	H	A	-0.3833
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8759
127	G	A	-0.8169
128	Q	A	-1.4040
129	T	A	-0.4829
130	G	A	0.0000
131	Y	A	0.2470
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2843
135	N	A	-1.2482
136	Y	A	-0.2031
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759