Project name: SH3_N113G

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113G
Energy difference between WT (input) and mutated protein (by FoldX)	0.655216 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: 1.5115
• Average score: -0.8259
• Total score value: -49.5554

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	-0.4331
82	S	A	-0.6664
83	H	A	-0.7912
84	M	A	0.2883
85	T	A	0.0000
86	F	A	-0.0754
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	-1.3200
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	-2.0566
108	L	A	0.0000
109	Q	A	-0.1775
110	I	A	0.7690
111	V	A	1.5115
112	N	A	0.0216
113	G	A	-0.9654	mutated: NA113G
114	T	A	-1.3332
115	E	A	-2.6580
116	G	A	-2.4071
117	D	A	-2.5615
118	W	A	-1.1684
119	W	A	-0.3337
120	L	A	0.6489
121	A	A	0.0000
122	H	A	-0.3450
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	-0.4797
130	G	A	0.0000
131	Y	A	0.3327
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1523
135	N	A	-1.2459
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1354
140	S	A	-0.1759