Project name: SH3_R95P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA95P
Energy difference between WT (input) and mutated protein (by FoldX)	0.77867 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: -3.4888
• Maximal score value: 1.2498
• Average score: -0.8539
• Total score value: -51.2362

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	-0.3142
90	Y	A	-0.7404
91	D	A	-2.8611
92	Y	A	-1.9665
93	E	A	-2.5317
94	S	A	-1.4188
95	P	A	-1.2087	mutated: RA95P
96	T	A	-1.3871
97	E	A	-1.9899
98	T	A	-1.0266
99	D	A	-1.0264
100	L	A	0.0000
101	S	A	-1.6872
102	F	A	0.0000
103	K	A	-3.4888
104	K	A	-2.8640
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	-1.3416
119	W	A	-0.6970
120	L	A	0.4058
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8786
127	G	A	-0.8169
128	Q	A	-1.4121
129	T	A	-0.4946
130	G	A	0.0000
131	Y	A	0.2186
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2062
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759