Project name: SH3_T114H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114H
Energy difference between WT (input) and mutated protein (by FoldX)	0.498865 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: 1.1516
• Average score: -0.9516
• Total score value: -57.0958

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	-0.4555
82	S	A	-0.6867
83	H	A	-0.7912
84	M	A	0.2614
85	T	A	0.0000
86	F	A	-0.1117
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	-2.1057
93	E	A	-2.8817
94	S	A	0.0000
95	R	A	-2.7840
96	T	A	-2.1695
97	E	A	-2.3682
98	T	A	-1.2735
99	D	A	-1.3807
100	L	A	0.0000
101	S	A	-1.9225
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	-2.0752
108	L	A	0.0000
109	Q	A	-0.2550
110	I	A	0.4118
111	V	A	1.1516
112	N	A	-0.6480
113	N	A	-2.2530
114	H	A	-2.6325	mutated: TA114H
115	E	A	-3.3743
116	G	A	-2.8269
117	D	A	-2.8227
118	W	A	-1.5209
119	W	A	-0.9043
120	L	A	0.2692
121	A	A	0.0000
122	H	A	-0.3984
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	-1.4120
129	T	A	-0.5200
130	G	A	0.0000
131	Y	A	0.0938
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3122
135	N	A	-1.2523
136	Y	A	-0.2070
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1543
140	S	A	-0.1759