Project name: SH3_T97Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA97Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.846183 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.8908
• Total score value: -50.7742

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	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9293
94	E	A	-2.4758
95	A	A	-2.2137
96	R	A	-2.2963
97	Y	A	-1.2654	mutated: TA97Y
98	E	A	-2.4211
99	D	A	-2.5885
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0421
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0571
112	L	A	0.1427
113	N	A	-0.8889
114	S	A	-1.1807
115	S	A	-1.5969
116	E	A	-2.5608
117	G	A	-2.1354
118	D	A	-2.4471
119	W	A	-1.1084
120	W	A	-1.0589
121	E	A	-1.1551
122	A	A	0.0000
123	R	A	-1.7158
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6932
131	G	A	-1.5009
132	Y	A	-0.8711
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9225
136	N	A	-1.1512
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964