Project name: SH3_S82I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA82I
Energy difference between WT (input) and mutated protein (by FoldX)	0.423585 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: 1.5499
• Average score: -0.7989
• Total score value: -47.9362

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	0.6429
82	I	A	1.5499	mutated: SA82I
83	H	A	0.2948
84	M	A	0.9285
85	T	A	0.0000
86	F	A	-0.0928
87	V	A	-0.6163
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	-2.0649
108	L	A	0.0000
109	Q	A	0.1386
110	I	A	0.7043
111	V	A	1.2617
112	N	A	-0.4148
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	-0.6981
120	L	A	0.4105
121	A	A	0.0000
122	H	A	-0.3729
123	S	A	0.0000
124	L	A	-0.2800
125	T	A	-0.7852
126	T	A	-0.8812
127	G	A	-0.8206
128	Q	A	-1.4142
129	T	A	-0.4918
130	G	A	0.0000
131	Y	A	0.2194
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	-0.1457
140	S	A	-0.1759