Project name: SH3_T98H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0939362 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: 1.2118
• Average score: -0.9599
• Total score value: -57.5962

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	-2.9124
96	T	A	-2.4636
97	E	A	-2.8244
98	H	A	-2.2237	mutated: TA98H
99	D	A	-1.8711
100	L	A	0.0000
101	S	A	-2.0314
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	-0.2565
110	I	A	0.4022
111	V	A	1.2118
112	N	A	-0.4622
113	N	A	-1.8455
114	T	A	-1.7389
115	E	A	-2.9425
116	G	A	-2.6082
117	D	A	-2.7035
118	W	A	-1.4066
119	W	A	-0.7870
120	L	A	0.1514
121	A	A	0.0000
122	H	A	-0.4212
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	-1.4139
129	T	A	-0.6898
130	G	A	0.0000
131	Y	A	-0.2308
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3159
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