Project name: SH3_E93F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA93F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.152154 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: -0.7331
• Total score value: -43.9838

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	-0.3159
90	Y	A	-0.7441
91	D	A	-2.0340
92	Y	A	-0.3170
93	F	A	0.8376	mutated: EA93F
94	S	A	-0.3773
95	R	A	-1.9246
96	T	A	-1.7061
97	E	A	-2.3567
98	T	A	-1.2492
99	D	A	-0.7951
100	L	A	0.0000
101	S	A	-0.4531
102	F	A	0.0000
103	K	A	-2.9285
104	K	A	-2.8665
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
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	-0.7802
126	T	A	-0.8825
127	G	A	-0.8170
128	Q	A	-1.4183
129	T	A	-0.5008
130	G	A	0.0000
131	Y	A	0.2115
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