Project name: SH3_E115L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115L
Energy difference between WT (input) and mutated protein (by FoldX)	0.302693 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: 1.2607
• Average score: -0.7136
• Total score value: -42.8176

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	-2.1761
97	E	A	-2.3749
98	T	A	-1.2908
99	D	A	-1.4113
100	L	A	0.0000
101	S	A	-1.9315
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	-0.2385
110	I	A	0.4356
111	V	A	1.2607
112	N	A	0.1785
113	N	A	-0.7001
114	T	A	-0.1187
115	L	A	0.3660	mutated: EA115L
116	G	A	-1.0094
117	D	A	-1.7845
118	W	A	-0.5338
119	W	A	0.0322
120	L	A	0.7519
121	A	A	0.0000
122	H	A	-0.4021
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	-0.5308
130	G	A	0.0000
131	Y	A	0.0142
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9400
135	N	A	-1.2560
136	Y	A	-0.2095
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759