Project name: SH3_S114Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114Y
Energy difference between WT (input) and mutated protein (by FoldX)	-1.25746 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: 1.7924
• Average score: -0.8614
• Total score value: -49.1

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	0.4929
86	L	A	0.7597
87	F	A	0.8876
88	V	A	0.4256
89	A	A	0.0000
90	L	A	-0.1525
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	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4595
107	E	A	-1.3096
108	K	A	-0.6599
109	F	A	0.0000
110	Q	A	-0.5766
111	I	A	0.1293
112	L	A	0.4017
113	N	A	-0.2177
114	Y	A	0.2479	mutated: SA114Y
115	S	A	-0.8840
116	E	A	-2.1180
117	G	A	-1.7584
118	D	A	-2.1199
119	W	A	-0.7970
120	W	A	-0.5264
121	E	A	-0.8551
122	A	A	0.0000
123	R	A	-1.7495
124	S	A	0.0000
125	L	A	0.0579
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7089
131	G	A	-1.5148
132	Y	A	-0.7294
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7026
136	N	A	-1.1514
137	Y	A	-0.1257
138	V	A	0.0000
139	A	A	0.4118
140	P	A	0.7706
141	V	A	1.7924