Project name: SH3_D117F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117F
Energy difference between WT (input) and mutated protein (by FoldX)	0.0922198 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: -3.4848
• Maximal score value: 1.2517
• Average score: -0.6863
• Total score value: -41.1788

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	-0.3129
90	Y	A	-0.7377
91	D	A	-2.8547
92	Y	A	-2.1094
93	E	A	-2.8834
94	S	A	0.0000
95	R	A	-2.7841
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2412
99	D	A	-1.3304
100	L	A	0.0000
101	S	A	-1.9046
102	F	A	0.0000
103	K	A	-3.4848
104	K	A	-2.8622
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4386
111	V	A	1.2517
112	N	A	-0.4118
113	N	A	-1.2575
114	T	A	-1.2575
115	E	A	-1.8070
116	G	A	-0.7651
117	F	A	1.0380	mutated: DA117F
118	W	A	0.4313
119	W	A	0.1446
120	L	A	0.4028
121	A	A	0.0000
122	H	A	-0.3834
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	-0.4947
130	G	A	0.0000
131	Y	A	0.5976
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.1192
135	N	A	-0.5841
136	Y	A	-0.2103
137	V	A	0.0000
138	A	A	-0.0210
139	P	A	-0.1505
140	S	A	-0.1759