Project name: SH3_L90I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA90I
Energy difference between WT (input) and mutated protein (by FoldX)	0.733945 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: 1.7995
• Average score: -0.9556
• Total score value: -54.4666

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	0.5184
86	L	A	0.7955
87	F	A	0.9342
88	V	A	0.4525
89	A	A	0.0000
90	I	A	-0.0975	mutated: LA90I
91	Y	A	-0.5488
92	D	A	-2.5476
93	Y	A	-1.9210
94	E	A	-2.6426
95	A	A	-2.6246
96	R	A	-2.9846
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	-2.2042
103	F	A	0.0000
104	H	A	-2.7179
105	K	A	-2.3864
106	G	A	-1.4420
107	E	A	-1.2974
108	K	A	-0.6333
109	F	A	0.0000
110	Q	A	-0.5080
111	I	A	-0.0568
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	-1.1035
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0601
126	T	A	-0.4730
127	T	A	-0.8207
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	-0.9225
136	N	A	-1.1460
137	Y	A	-0.1122
138	V	A	0.0000
139	A	A	0.4313
140	P	A	0.7791
141	V	A	1.7995