Project name: SH3_W118H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118H
Energy difference between WT (input) and mutated protein (by FoldX)	0.522366 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: -3.4686
• Maximal score value: 1.2525
• Average score: -0.9642
• Total score value: -57.8516

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	-0.3056
90	Y	A	-0.7218
91	D	A	-2.8234
92	Y	A	-2.0466
93	E	A	-2.8495
94	S	A	0.0000
95	R	A	-2.7743
96	T	A	-2.1468
97	E	A	-2.3457
98	T	A	-1.2281
99	D	A	-1.3957
100	L	A	0.0000
101	S	A	-1.8775
102	F	A	0.0000
103	K	A	-3.4686
104	K	A	-2.8517
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4398
111	V	A	1.2525
112	N	A	-0.5295
113	N	A	-1.9819
114	T	A	-1.8507
115	E	A	-3.1690
116	G	A	-2.8495
117	D	A	-3.1019
118	H	A	-2.1928	mutated: WA118H
119	W	A	-1.1102
120	L	A	0.2241
121	A	A	0.0000
122	H	A	-0.3810
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	-1.4101
129	T	A	-0.4879
130	G	A	0.0000
131	Y	A	0.0060
132	I	A	0.0000
133	P	A	-0.8739
134	S	A	-1.5661
135	N	A	-1.3747
136	Y	A	-0.2900
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759