Project name: SH3_N112M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA112M
Energy difference between WT (input) and mutated protein (by FoldX)	0.190518 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: 1.4053
• Average score: -0.8411
• Total score value: -50.4633

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	-0.5105
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.1034
87	V	A	-0.6218
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.2564
99	D	A	-1.3428
100	L	A	0.0000
101	S	A	-1.9045
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	-2.0707
108	L	A	0.0000
109	Q	A	-0.2265
110	I	A	0.5661
111	V	A	1.4053
112	M	A	0.6938	mutated: NA112M
113	N	A	-1.2755
114	T	A	-1.3915
115	E	A	-2.7096
116	G	A	-2.4701
117	D	A	-2.6873
118	W	A	-1.1869
119	W	A	-0.4213
120	L	A	0.6589
121	A	A	0.0000
122	H	A	-0.3680
123	S	A	0.0000
124	L	A	-0.2789
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.5769
130	G	A	0.0000
131	Y	A	0.2969
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3003
135	N	A	-1.2490
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759