Project name: SH3_E93H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA93H
Energy difference between WT (input) and mutated protein (by FoldX)	0.309291 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: -3.3727
• Maximal score value: 1.2498
• Average score: -0.8607
• Total score value: -51.6428

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	-0.3156
90	Y	A	-0.7433
91	D	A	-2.6873
92	Y	A	-1.7397
93	H	A	-2.0808	mutated: EA93H
94	S	A	0.0000
95	R	A	-2.5983
96	T	A	-2.0571
97	E	A	-2.3526
98	T	A	-1.2457
99	D	A	-1.2145
100	L	A	0.0000
101	S	A	-1.6192
102	F	A	0.0000
103	K	A	-3.3727
104	K	A	-2.8660
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	0.2143
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2081
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759