Project name: SH3_E97C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA97C
Energy difference between WT (input) and mutated protein (by FoldX)	0.249856 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: -3.4841
• Maximal score value: 1.2501
• Average score: -0.7847
• Total score value: -47.0824

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	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8530
92	Y	A	-2.1058
93	E	A	-2.8818
94	S	A	0.0000
95	R	A	-2.1967
96	T	A	-0.9157
97	C	A	0.1996	mutated: EA97C
98	T	A	-0.0011
99	D	A	-0.5946
100	L	A	0.0000
101	S	A	-1.9041
102	F	A	0.0000
103	K	A	-3.4841
104	K	A	-2.8616
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	0.4375
111	V	A	1.2501
112	N	A	-0.4196
113	N	A	-1.8139
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6842
118	W	A	-1.3415
119	W	A	-0.6967
120	L	A	0.4061
121	A	A	0.0000
122	H	A	-0.3837
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4943
130	G	A	0.0000
131	Y	A	0.5029
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759