Project name: SH3_E93K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA93K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.142595 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: -3.4722
• Maximal score value: 1.2498
• Average score: -0.9299
• Total score value: -55.7955

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	-0.6213
88	A	A	0.0000
89	L	A	-0.3145
90	Y	A	-0.7419
91	D	A	-2.8434
92	Y	A	-2.0927
93	K	A	-2.8015	mutated: EA93K
94	S	A	-2.1536
95	R	A	-2.7757
96	T	A	-2.1511
97	E	A	-2.3568
98	T	A	-1.2490
99	D	A	-1.3250
100	L	A	0.0000
101	S	A	-1.9093
102	F	A	0.0000
103	K	A	-3.4722
104	K	A	-2.8622
105	G	A	-1.9598
106	E	A	0.0000
107	R	A	-2.0704
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.3841
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7793
126	T	A	-0.8815
127	G	A	-0.8171
128	Q	A	-1.4181
129	T	A	-0.5005
130	G	A	0.0000
131	Y	A	0.2117
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2086
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759