Project name: SH3_D117N

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117N
Energy difference between WT (input) and mutated protein (by FoldX)	0.274158 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: -3.4853
• Maximal score value: 1.2501
• Average score: -0.8682
• Total score value: -52.0907

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	-0.6230
88	A	A	0.0000
89	L	A	-0.3153
90	Y	A	-0.7424
91	D	A	-2.8556
92	Y	A	-2.1070
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1538
97	E	A	-2.3523
98	T	A	-1.2407
99	D	A	-1.3247
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.4853
104	K	A	-2.8640
105	G	A	-1.9631
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4376
111	V	A	1.2501
112	N	A	-0.4228
113	N	A	-1.7436
114	T	A	-1.6743
115	E	A	-2.7946
116	G	A	-2.3626
117	N	A	-2.1793	mutated: DA117N
118	W	A	-1.1146
119	W	A	-0.5905
120	L	A	0.4005
121	A	A	0.0000
122	H	A	-0.3837
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	-0.4944
130	G	A	0.0000
131	Y	A	0.2702
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1294
135	N	A	-1.1590
136	Y	A	-0.2077
137	V	A	0.0000
138	A	A	-0.0211
139	P	A	-0.1505
140	S	A	-0.1759