Project name: SH3_S82W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA82W
Energy difference between WT (input) and mutated protein (by FoldX)	0.0864406 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: 1.3366
• Average score: -0.8141
• Total score value: -48.8476

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	0.2690
82	W	A	0.7645	mutated: SA82W
83	H	A	-0.0774
84	M	A	0.7381
85	T	A	0.0000
86	F	A	-0.0267
87	V	A	-0.5822
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	-1.2413
99	D	A	-1.3228
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	-1.9999
108	L	A	0.0000
109	Q	A	0.2807
110	I	A	0.7444
111	V	A	1.3366
112	N	A	-0.3818
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	-0.6962
120	L	A	0.4506
121	A	A	0.0000
122	H	A	-0.2587
123	S	A	0.0000
124	L	A	-0.1969
125	T	A	-0.7713
126	T	A	-0.8715
127	G	A	-0.8086
128	Q	A	-1.4049
129	T	A	-0.4509
130	G	A	0.0000
131	Y	A	0.2219
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	-0.1183
140	S	A	-0.1759