Project name: SH3_T126H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.523316 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: -3.4902
• Maximal score value: 1.2498
• Average score: -0.9326
• Total score value: -55.9554

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	-0.6139
88	A	A	0.0000
89	L	A	-0.3000
90	Y	A	-0.7170
91	D	A	-2.8166
92	Y	A	-2.0821
93	E	A	-2.8650
94	S	A	0.0000
95	R	A	-2.7820
96	T	A	-2.1527
97	E	A	-2.3526
98	T	A	-1.2401
99	D	A	-1.3201
100	L	A	0.0000
101	S	A	-1.9608
102	F	A	0.0000
103	K	A	-3.4902
104	K	A	-2.8234
105	G	A	-1.9430
106	E	A	0.0000
107	R	A	-2.1717
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.4973
123	S	A	0.0000
124	L	A	-0.5205
125	T	A	-1.1603
126	H	A	-1.6588	mutated: TA126H
127	G	A	-1.1982
128	Q	A	-1.6660
129	T	A	-0.6025
130	G	A	0.0000
131	Y	A	0.2213
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
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