Project name: SH3_T98I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.625356 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: 1.2351
• Average score: -0.7995
• Total score value: -47.9676

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	-2.0982
93	E	A	-2.8740
94	S	A	0.0000
95	R	A	-2.5066
96	T	A	-1.5433
97	E	A	-1.3945
98	I	A	0.7230	mutated: TA98I
99	D	A	-0.3733
100	L	A	0.0000
101	S	A	-1.6966
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	-0.2494
110	I	A	0.4232
111	V	A	1.2351
112	N	A	-0.4380
113	N	A	-1.8275
114	T	A	-1.7333
115	E	A	-2.9362
116	G	A	-2.6082
117	D	A	-2.6954
118	W	A	-1.3666
119	W	A	-0.7307
120	L	A	0.6114
121	A	A	0.0000
122	H	A	-0.4006
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	-1.4073
129	T	A	-0.1998
130	G	A	0.0000
131	Y	A	0.6361
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2999
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