Project name: SH3_F87Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	FA87Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.405507 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: 1.7848
• Average score: -0.9639
• Total score value: -54.9426

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	0.5092
86	L	A	0.7766
87	Y	A	0.8900	mutated: FA87Y
88	V	A	0.4147
89	A	A	0.0000
90	L	A	-0.1551
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	-1.4622
107	E	A	-1.3130
108	K	A	-0.6533
109	F	A	0.0000
110	Q	A	-0.5187
111	I	A	-0.0663
112	L	A	0.1404
113	N	A	-0.8920
114	S	A	-1.1844
115	S	A	-1.5986
116	E	A	-2.5625
117	G	A	-2.1367
118	D	A	-2.4480
119	W	A	-1.1092
120	W	A	-1.0685
121	E	A	-1.1594
122	A	A	0.0000
123	R	A	-1.7169
124	S	A	0.0000
125	L	A	0.0556
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	-1.5013
132	Y	A	-0.8717
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9284
136	N	A	-1.1517
137	Y	A	-0.1282
138	V	A	0.0000
139	A	A	0.4044
140	P	A	0.7610
141	V	A	1.7848