Project name: SH3_E115S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115S
Energy difference between WT (input) and mutated protein (by FoldX)	-0.339698 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: 1.2589
• Average score: -0.7972
• Total score value: -47.8348

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	-0.6223
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2439
99	D	A	-1.3288
100	L	A	0.0000
101	S	A	-1.9048
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2465
110	I	A	0.4421
111	V	A	1.2589
112	N	A	-0.1138
113	N	A	-1.2433
114	T	A	-0.9172
115	S	A	-1.2630	mutated: EA115S
116	G	A	-1.7956
117	D	A	-2.2120
118	W	A	-0.8970
119	W	A	-0.2979
120	L	A	0.6097
121	A	A	0.0000
122	H	A	-0.3830
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	-0.4967
130	G	A	0.0000
131	Y	A	0.2087
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.0953
135	N	A	-1.2505
136	Y	A	-0.2054
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759