Project name: SH3_W118I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118I
Energy difference between WT (input) and mutated protein (by FoldX)	0.493274 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: -3.4617
• Maximal score value: 1.2392
• Average score: -0.8457
• Total score value: -50.7447

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	-0.1038
87	V	A	-0.6208
88	A	A	0.0000
89	L	A	-0.2988
90	Y	A	-0.7094
91	D	A	-2.8093
92	Y	A	-2.0440
93	E	A	-2.8647
94	S	A	0.0000
95	R	A	-2.8056
96	T	A	-2.2133
97	E	A	-2.4085
98	T	A	-1.3428
99	D	A	-1.4040
100	L	A	0.0000
101	S	A	-1.9280
102	F	A	0.0000
103	K	A	-3.4617
104	K	A	-2.8451
105	G	A	-1.9610
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4265
111	V	A	1.2392
112	N	A	-0.3055
113	N	A	-1.6327
114	T	A	-1.5996
115	E	A	-2.6739
116	G	A	-2.3457
117	D	A	-2.2405
118	I	A	-0.4462	mutated: WA118I
119	W	A	-0.2888
120	L	A	0.5481
121	A	A	0.0000
122	H	A	-0.3972
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	-1.4282
129	T	A	-0.5418
130	G	A	0.0000
131	Y	A	0.3139
132	I	A	0.0000
133	P	A	-0.2388
134	S	A	-1.0108
135	N	A	-1.1244
136	Y	A	-0.0976
137	V	A	0.0000
138	A	A	-0.0204
139	P	A	-0.1505
140	S	A	-0.1759