Project name: SH3_Q110Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.191463 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: 1.7875
• Average score: -0.8371
• Total score value: -47.713

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	0.8815
86	L	A	1.4566
87	F	A	1.3699
88	V	A	0.6880
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
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	-3.0435
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2060
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.2929
108	K	A	-0.2154
109	F	A	0.0000
110	Y	A	1.3559	mutated: QA110Y
111	I	A	0.6517
112	L	A	0.3447
113	N	A	-0.8147
114	S	A	-1.2646
115	S	A	-1.6218
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9317
121	E	A	-0.9908
122	A	A	0.0000
123	R	A	-1.0794
124	S	A	0.0000
125	L	A	0.5587
126	T	A	-0.4301
127	T	A	-0.7928
128	G	A	-1.1039
129	E	A	-2.2124
130	T	A	-1.4748
131	G	A	-1.5278
132	Y	A	-0.9013
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9385
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4115
140	P	A	0.9686
141	V	A	1.7875