Project name: SH3_S82C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA82C
Energy difference between WT (input) and mutated protein (by FoldX)	0.000304756 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: -3.4838
• Maximal score value: 1.259
• Average score: -0.8547
• Total score value: -51.2826

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	0.0155
82	C	A	0.2679	mutated: SA82C
83	H	A	-0.3282
84	M	A	0.5515
85	T	A	0.0000
86	F	A	-0.0945
87	V	A	-0.6172
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0726
108	L	A	0.0000
109	Q	A	-0.0720
110	I	A	0.5588
111	V	A	1.2590
112	N	A	-0.4160
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	-0.6984
120	L	A	0.4088
121	A	A	0.0000
122	H	A	-0.3837
123	S	A	0.0000
124	L	A	-0.3008
125	T	A	-0.7948
126	T	A	-0.8873
127	G	A	-0.8276
128	Q	A	-1.4186
129	T	A	-0.4965
130	G	A	0.0000
131	Y	A	0.2188
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1464
140	S	A	-0.1759