Project name: SH3_G116W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	GA116W
Energy difference between WT (input) and mutated protein (by FoldX)	0.0720033 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: 1.237
• Average score: -0.8076
• Total score value: -48.4534

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	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3302
100	L	A	0.0000
101	S	A	-1.9034
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	-0.2491
110	I	A	0.4231
111	V	A	1.2370
112	N	A	-0.2742
113	N	A	-1.4358
114	T	A	-1.3547
115	E	A	-2.1461
116	W	A	-0.9671	mutated: GA116W
117	D	A	-1.8889
118	W	A	-0.9088
119	W	A	-0.4213
120	L	A	0.3736
121	A	A	0.0000
122	H	A	-0.3909
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	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.1986
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9519
135	N	A	-1.0690
136	Y	A	-0.2017
137	V	A	0.0000
138	A	A	-0.0202
139	P	A	-0.1505
140	S	A	-0.1759