Project name: SH3_L90S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA90S
Energy difference between WT (input) and mutated protein (by FoldX)	0.772555 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: -3.1028
• Maximal score value: 1.8381
• Average score: -0.9764
• Total score value: -55.652

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
85	T	A	0.5246
86	L	A	0.8269
87	F	A	0.9431
88	V	A	0.4161
89	A	A	0.0000
90	S	A	-0.6127	mutated: LA90S
91	Y	A	-0.7967
92	D	A	-2.6691
93	Y	A	-1.9966
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.8039
105	K	A	-2.5560
106	G	A	-1.5531
107	E	A	-1.3502
108	K	A	-0.6520
109	F	A	0.0000
110	Q	A	-0.5027
111	I	A	-0.0573
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1026
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7161
124	S	A	0.0000
125	L	A	0.0640
126	T	A	-0.4739
127	T	A	-0.8211
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8655
136	N	A	-1.1697
137	Y	A	-0.1966
138	V	A	0.1752
139	A	A	0.4137
140	P	A	0.8354
141	V	A	1.8381