Project name: SH3_S101R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101R
Energy difference between WT (input) and mutated protein (by FoldX)	0.346281 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: -3.8425
• Maximal score value: 1.2498
• Average score: -1.0131
• Total score value: -60.7833

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	-0.3129
90	Y	A	-0.7377
91	D	A	-3.1603
92	Y	A	-2.6760
93	E	A	-3.5976
94	S	A	-2.8091
95	R	A	-3.0538
96	T	A	-2.3608
97	E	A	-2.3565
98	T	A	-1.4333
99	D	A	-1.6985
100	L	A	0.0000
101	R	A	-3.5917	mutated: SA101R
102	F	A	0.0000
103	K	A	-3.8425
104	K	A	-2.8622
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0700
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
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	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.2521
123	S	A	0.0000
124	L	A	-0.1909
125	T	A	-0.7004
126	T	A	-0.9034
127	G	A	-0.5825
128	Q	A	-1.2244
129	T	A	-0.5179
130	G	A	0.0000
131	Y	A	-0.0219
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2045
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759