Project name: SH3_T98M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.08231 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: 1.2047
• Average score: -0.8699
• Total score value: -52.1937

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	-2.1077
93	E	A	-2.8844
94	S	A	0.0000
95	R	A	-2.6808
96	T	A	-1.9286
97	E	A	-1.9884
98	M	A	-0.5023	mutated: TA98M
99	D	A	-1.0174
100	L	A	0.0000
101	S	A	-1.8360
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	-0.2619
110	I	A	0.3999
111	V	A	1.2047
112	N	A	-0.4768
113	N	A	-1.8500
114	T	A	-1.7465
115	E	A	-2.9472
116	G	A	-2.6079
117	D	A	-2.6916
118	W	A	-1.3864
119	W	A	-0.7761
120	L	A	0.3695
121	A	A	0.0000
122	H	A	-0.4152
123	S	A	0.0000
124	L	A	-0.2794
125	T	A	-0.7809
126	T	A	-0.8781
127	G	A	-0.8174
128	Q	A	-1.4113
129	T	A	-0.4049
130	G	A	0.0000
131	Y	A	0.2802
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3068
135	N	A	-1.2476
136	Y	A	-0.2032
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759