Project name: SH3_L90R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA90R
Energy difference between WT (input) and mutated protein (by FoldX)	0.792601 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: -3.1076
• Maximal score value: 1.7804
• Average score: -1.1003
• Total score value: -62.7166

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	0.5114
86	L	A	0.7811
87	F	A	0.6566
88	V	A	-0.1244
89	A	A	0.0000
90	R	A	-2.1868	mutated: LA90R
91	Y	A	-1.5553
92	D	A	-2.9739
93	Y	A	-2.1787
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	-3.0418
105	K	A	-3.1076
106	G	A	-1.9824
107	E	A	-1.6224
108	K	A	-0.8748
109	F	A	0.0000
110	Q	A	-0.5148
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	-1.1026
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	0.0544
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	-0.9222
136	N	A	-1.4388
137	Y	A	-0.7722
138	V	A	0.0000
139	A	A	0.0000
140	P	A	0.7575
141	V	A	1.7804