Project name: SH3_L89R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA89R
Energy difference between WT (input) and mutated protein (by FoldX)	0.835796 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: -3.7571
• Maximal score value: 1.2498
• Average score: -0.9844
• Total score value: -59.0667

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	-0.2045
87	V	A	-0.8846
88	A	A	0.0000
89	R	A	-1.7090	mutated: LA89R
90	Y	A	-1.6638
91	D	A	-3.2719
92	Y	A	-2.3301
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.7571
104	K	A	-3.4328
105	G	A	-2.3093
106	E	A	0.0000
107	R	A	-2.0326
108	L	A	0.0000
109	Q	A	-0.2349
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	-2.9362
116	G	A	-2.6084
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
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	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.4727
136	Y	A	-0.6910
137	V	A	0.0000
138	A	A	-0.2541
139	P	A	-0.1212
140	S	A	-0.1438