Project name: SH3_Y91R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91R
Energy difference between WT (input) and mutated protein (by FoldX)	0.0619403 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: -3.9781
• Maximal score value: 1.7971
• Average score: -1.1497
• Total score value: -65.5317

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	0.5175
86	L	A	0.7937
87	F	A	0.9386
88	V	A	0.0967
89	A	A	0.0000
90	L	A	-1.4592
91	R	A	-3.4772	mutated: YA91R
92	D	A	-3.9781
93	Y	A	-2.6733
94	E	A	-2.9430
95	A	A	-2.6255
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1028
99	D	A	-3.0433
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2058
103	F	A	0.0000
104	H	A	-3.4523
105	K	A	-3.6618
106	G	A	-1.9982
107	E	A	-1.6645
108	K	A	-0.6291
109	F	A	0.0000
110	Q	A	-0.5088
111	I	A	-0.0569
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1795
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4446
119	W	A	-1.1035
120	W	A	-1.0558
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0594
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	-1.4991
132	Y	A	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9228
136	N	A	-1.4343
137	Y	A	-0.8335
138	V	A	0.0000
139	A	A	0.4423
140	P	A	0.7763
141	V	A	1.7971