Project name: SH3_S82F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA82F
Energy difference between WT (input) and mutated protein (by FoldX)	0.0578693 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: 1.524
• Average score: -0.7785
• Total score value: -46.7099

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	0.6419
82	F	A	1.5240	mutated: SA82F
83	H	A	0.2928
84	M	A	0.9662
85	T	A	0.0000
86	F	A	-0.0178
87	V	A	-0.5776
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	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
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	-1.9897
108	L	A	0.0000
109	Q	A	0.4346
110	I	A	0.8450
111	V	A	1.3466
112	N	A	-0.3772
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.6956
120	L	A	0.4572
121	A	A	0.0000
122	H	A	-0.2404
123	S	A	0.0000
124	L	A	-0.1747
125	T	A	-0.7625
126	T	A	-0.8609
127	G	A	-0.7896
128	Q	A	-1.3948
129	T	A	-0.4401
130	G	A	0.0000
131	Y	A	0.2228
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1147
140	S	A	-0.1759