Project name: SH3_Y131H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA131H
Energy difference between WT (input) and mutated protein (by FoldX)	0.958059 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: -3.4764
• Maximal score value: 0.8904
• Average score: -0.9869
• Total score value: -59.2148

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	-0.1047
87	V	A	-0.6192
88	A	A	0.0000
89	L	A	-0.2993
90	Y	A	-0.7082
91	D	A	-2.8387
92	Y	A	-2.0961
93	E	A	-2.8789
94	S	A	0.0000
95	R	A	-2.7805
96	T	A	-2.2473
97	E	A	-2.4470
98	T	A	-1.4632
99	D	A	-1.6813
100	L	A	0.0000
101	S	A	-2.0235
102	F	A	0.0000
103	K	A	-3.4764
104	K	A	-2.8496
105	G	A	-1.9568
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.3096
110	I	A	0.1877
111	V	A	0.8904
112	N	A	-1.0682
113	N	A	-2.1625
114	T	A	-1.8849
115	E	A	-3.0181
116	G	A	-2.6549
117	D	A	-2.7662
118	W	A	-1.6276
119	W	A	-1.1378
120	L	A	-0.1570
121	A	A	0.0000
122	H	A	-0.5652
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4103
129	T	A	-0.6666
130	G	A	0.0000
131	H	A	-0.7290	mutated: YA131H
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3928
135	N	A	-1.2429
136	Y	A	-0.1960
137	V	A	0.0000
138	A	A	-0.0219
139	P	A	-0.1505
140	S	A	-0.1759