Project name: SH3_E93I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA93I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0573965 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: -2.9363
• Maximal score value: 1.2498
• Average score: -0.7181
• Total score value: -43.0866

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	-0.6167
88	A	A	0.0000
89	L	A	-0.3074
90	Y	A	-0.7306
91	D	A	-1.9910
92	Y	A	-0.2557
93	I	A	0.9369	mutated: EA93I
94	S	A	0.0000
95	R	A	-1.8936
96	T	A	-1.6877
97	E	A	-2.3526
98	T	A	-1.2435
99	D	A	-0.7726
100	L	A	0.0000
101	S	A	-0.3849
102	F	A	0.0000
103	K	A	-2.8608
104	K	A	-2.8406
105	G	A	-1.9486
106	E	A	0.0000
107	R	A	-2.0657
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	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7744
126	T	A	-0.8744
127	G	A	-0.8169
128	Q	A	-1.4150
129	T	A	-0.4978
130	G	A	0.0000
131	Y	A	0.2170
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2084
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759