Project name: SH3_K108Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.176353 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: 2.0995
• Average score: -0.8033
• Total score value: -45.7886

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	0.5483
86	L	A	1.2882
87	F	A	1.4906
88	V	A	1.1642
89	A	A	0.0000
90	L	A	0.0556
91	Y	A	-0.5466
92	D	A	-2.5263
93	Y	A	-1.9318
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	-2.4714
105	K	A	-2.0783
106	G	A	-0.8261
107	E	A	-0.3809
108	Y	A	1.1411	mutated: KA108Y
109	F	A	0.0000
110	Q	A	-0.1084
111	I	A	0.1488
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	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.4300
124	S	A	0.0000
125	L	A	0.6930
126	T	A	-0.0302
127	T	A	-0.6214
128	G	A	-1.3334
129	E	A	-2.2276
130	T	A	-1.6841
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1508
137	Y	A	-0.1421
138	V	A	0.0000
139	A	A	0.6158
140	P	A	0.9824
141	V	A	2.0995