Project name: SH3_N113V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113V
Energy difference between WT (input) and mutated protein (by FoldX)	0.201924 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: 1.8983
• Average score: -0.6996
• Total score value: -41.974

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	-0.4471
82	S	A	-0.6790
83	H	A	-0.7912
84	M	A	0.2715
85	T	A	0.0000
86	F	A	-0.0980
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	-1.3229
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	-2.0682
108	L	A	0.0000
109	Q	A	-0.2335
110	I	A	1.0821
111	V	A	1.8983
112	N	A	0.9274
113	V	A	0.9432	mutated: NA113V
114	T	A	-0.3869
115	E	A	-2.0081
116	G	A	-1.9395
117	D	A	-2.2849
118	W	A	-0.7908
119	W	A	0.3516
120	L	A	1.0698
121	A	A	0.0000
122	H	A	-0.3761
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	-0.4916
130	G	A	0.0000
131	Y	A	0.5219
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9047
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1472
140	S	A	-0.1759