Project name: SH3_V111N

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111N
Energy difference between WT (input) and mutated protein (by FoldX)	0.729726 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: 0.2683
• Average score: -1.0869
• Total score value: -65.2124

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	-0.8230
82	S	A	-0.6814
83	H	A	-0.7904
84	M	A	0.2683
85	T	A	0.0000
86	F	A	-0.1025
87	V	A	-0.6213
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2464
99	D	A	-1.3303
100	L	A	0.0000
101	S	A	-1.9041
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	-2.0727
108	L	A	0.0000
109	Q	A	-1.0818
110	I	A	-1.0494
111	N	A	-1.8050	mutated: VA111N
112	N	A	-1.9161
113	N	A	-2.5222
114	T	A	-2.0894
115	E	A	-2.9393
116	G	A	-2.6085
117	D	A	-2.6855
118	W	A	-1.3509
119	W	A	-1.3133
120	L	A	-0.6360
121	A	A	0.0000
122	H	A	-1.1080
123	S	A	0.0000
124	L	A	-0.2854
125	T	A	-0.7845
126	T	A	-0.8812
127	G	A	-0.8217
128	Q	A	-1.4140
129	T	A	-0.8786
130	G	A	0.0000
131	Y	A	-0.1595
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2900
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1497
140	S	A	-0.1759