Project name: SH3_E115I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115I
Energy difference between WT (input) and mutated protein (by FoldX)	0.882815 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: 1.2467
• Average score: -0.6729
• Total score value: -40.3744

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	-2.1664
97	E	A	-2.3651
98	T	A	-1.2706
99	D	A	-1.3645
100	L	A	0.0000
101	S	A	-1.9189
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	0.4300
111	V	A	1.2467
112	N	A	0.2539
113	N	A	-0.5124
114	T	A	0.1389
115	I	A	0.9144	mutated: EA115I
116	G	A	-0.7255
117	D	A	-1.5703
118	W	A	-0.2653
119	W	A	0.2208
120	L	A	0.8421
121	A	A	0.0000
122	H	A	-0.3977
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	-0.5174
130	G	A	0.0000
131	Y	A	0.1242
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.8345
135	N	A	-1.2411
136	Y	A	-0.1985
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759