Project name: SH3_S101P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101P
Energy difference between WT (input) and mutated protein (by FoldX)	-0.13471 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: -3.503
• Maximal score value: 1.2498
• Average score: -0.9329
• Total score value: -55.9729

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	-0.3124
90	Y	A	-0.7364
91	D	A	-2.8688
92	Y	A	-2.1347
93	E	A	-2.9225
94	S	A	-2.2078
95	R	A	-2.7991
96	T	A	-2.1575
97	E	A	-2.3434
98	T	A	-1.2329
99	D	A	-1.3019
100	L	A	0.0000
101	P	A	-1.9880	mutated: SA101P
102	F	A	0.0000
103	K	A	-3.5030
104	K	A	-2.8614
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
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	-1.3370
119	W	A	-0.6927
120	L	A	0.4118
121	A	A	0.0000
122	H	A	-0.3720
123	S	A	0.0000
124	L	A	-0.2718
125	T	A	-0.7735
126	T	A	-0.8742
127	G	A	-0.7959
128	Q	A	-1.3796
129	T	A	-0.4796
130	G	A	0.0000
131	Y	A	0.2234
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2037
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759