Project name: SH3_E115P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115P
Energy difference between WT (input) and mutated protein (by FoldX)	0.784052 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: 1.2334
• Average score: -0.8068
• Total score value: -48.409

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	-2.1052
93	E	A	-2.8810
94	S	A	0.0000
95	R	A	-2.7830
96	T	A	-2.1709
97	E	A	-2.3697
98	T	A	-1.2785
99	D	A	-1.3891
100	L	A	0.0000
101	S	A	-1.9251
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	-0.2466
110	I	A	0.4220
111	V	A	1.2334
112	N	A	-0.1540
113	N	A	-1.2596
114	T	A	-0.9053
115	P	A	-1.2269	mutated: EA115P
116	G	A	-1.7837
117	D	A	-2.2268
118	W	A	-0.9485
119	W	A	-0.3467
120	L	A	0.5581
121	A	A	0.0000
122	H	A	-0.4026
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	-1.4115
129	T	A	-0.5213
130	G	A	0.0000
131	Y	A	0.0573
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1143
135	N	A	-1.2537
136	Y	A	-0.2078
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759