Project name: SH3_Y93Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA93Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.00285692 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: 1.7964
• Average score: -0.9602
• Total score value: -54.7315

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	0.9240
88	V	A	0.4316
89	A	A	0.0000
90	L	A	-0.1507
91	Y	A	-0.5745
92	D	A	-2.5600
93	Y	A	-1.9320	mutated: YA93Y
94	E	A	-2.6456
95	A	A	-2.6261
96	R	A	-2.9853
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	-2.2062
103	F	A	0.0000
104	H	A	-2.7284
105	K	A	-2.4058
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	-0.0568
112	L	A	0.1429
113	N	A	-0.8886
114	S	A	-1.1804
115	S	A	-1.5969
116	E	A	-2.5608
117	G	A	-2.1354
118	D	A	-2.4469
119	W	A	-1.1076
120	W	A	-1.0582
121	E	A	-1.1542
122	A	A	0.0000
123	R	A	-1.7155
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	-1.6927
131	G	A	-1.4998
132	Y	A	-0.8689
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9216
136	N	A	-1.1503
137	Y	A	-0.1232
138	V	A	0.0000
139	A	A	0.4162
140	P	A	0.7757
141	V	A	1.7964