Project name: SH3_L125Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA125Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.740527 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: 1.7428
• Average score: -0.9931
• Total score value: -56.6087

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	0.3991
86	L	A	0.5453
87	F	A	0.8180
88	V	A	0.3948
89	A	A	0.0000
90	L	A	-0.1521
91	Y	A	-0.5750
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	-2.7289
105	K	A	-2.4069
106	G	A	-1.4598
107	E	A	-1.2688
108	K	A	-0.7235
109	F	A	0.0000
110	Q	A	-0.7761
111	I	A	-0.2196
112	L	A	0.2051
113	N	A	-0.8163
114	S	A	-1.1448
115	S	A	-1.5712
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0865
121	E	A	-1.2074
122	A	A	0.0000
123	R	A	-2.1429
124	S	A	0.0000
125	Y	A	0.0977	mutated: LA125Y
126	T	A	-0.4378
127	T	A	-0.8354
128	G	A	-1.4497
129	E	A	-2.3510
130	T	A	-1.8625
131	G	A	-1.5827
132	Y	A	-0.9121
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9268
136	N	A	-1.1504
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.3895
140	P	A	0.7135
141	V	A	1.7428