Project name: SH3_K108E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108E
Energy difference between WT (input) and mutated protein (by FoldX)	1.32969 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -3.1028
• Maximal score value: 1.7885
• Average score: -0.9636
• Total score value: -54.9237

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
85	T	A	0.5183
86	L	A	0.7921
87	F	A	0.9078
88	V	A	0.3931
89	A	A	0.0000
90	L	A	-0.1608
91	Y	A	-0.5796
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7326
105	K	A	-2.4132
106	G	A	-1.4701
107	E	A	-1.3236
108	E	A	-0.6627	mutated: KA108E
109	F	A	0.0000
110	Q	A	-0.5142
111	I	A	-0.0546
112	L	A	0.1430
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1529
122	A	A	0.0000
123	R	A	-1.7188
124	S	A	0.0000
125	L	A	0.0388
126	T	A	-0.4817
127	T	A	-0.8257
128	G	A	-1.3624
129	E	A	-2.2428
130	T	A	-1.6944
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1303
138	V	A	0.0000
139	A	A	0.4049
140	P	A	0.7685
141	V	A	1.7885