Project name: SH3_T98W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.555997 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: 1.204
• Average score: -0.8494
• Total score value: -50.9647

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	-2.1079
93	E	A	-2.8846
94	S	A	0.0000
95	R	A	-2.6167
96	T	A	-1.7881
97	E	A	-1.7641
98	W	A	-0.0439	mutated: TA98W
99	D	A	-0.8149
100	L	A	0.0000
101	S	A	-1.7934
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	-0.2617
110	I	A	0.3963
111	V	A	1.2040
112	N	A	-0.4696
113	N	A	-1.8499
114	T	A	-1.7431
115	E	A	-2.9468
116	G	A	-2.6079
117	D	A	-2.6999
118	W	A	-1.4060
119	W	A	-0.7944
120	L	A	0.4038
121	A	A	0.0000
122	H	A	-0.4246
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	-1.4141
129	T	A	-0.3490
130	G	A	0.0000
131	Y	A	0.3484
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3162
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759