Project name: SH3_T98E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.46074 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: -3.4838
• Maximal score value: 1.2233
• Average score: -0.9994
• Total score value: -59.9625

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	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1073
93	E	A	-2.8838
94	S	A	0.0000
95	R	A	-3.0246
96	T	A	-2.7197
97	E	A	-3.2272
98	E	A	-3.0481	mutated: TA98E
99	D	A	-2.2637
100	L	A	0.0000
101	S	A	-2.1208
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2507
110	I	A	0.4120
111	V	A	1.2233
112	N	A	-0.4516
113	N	A	-1.8378
114	T	A	-1.7345
115	E	A	-2.9373
116	G	A	-2.6082
117	D	A	-2.7033
118	W	A	-1.3969
119	W	A	-0.7676
120	L	A	0.0872
121	A	A	0.0000
122	H	A	-0.4132
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	-1.4135
129	T	A	-0.8121
130	G	A	0.0000
131	Y	A	-0.4323
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3109
135	N	A	-1.2482
136	Y	A	-0.2037
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759