Project name: SH3_4JZ4_N135Y [mutate: NA135Y]

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.895229 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: -3.4856
• Maximal score value: 1.3142
• Average score: -0.7726
• Total score value: -46.354

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1097
87	V	A	-0.6304
88	A	A	0.0000
89	L	A	0.0511
90	Y	A	-0.4642
91	D	A	-2.8633
92	Y	A	-2.1145
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3258
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4856
104	K	A	-2.8713
105	G	A	-1.9637
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4375
111	V	A	1.2498
112	N	A	-0.4232
113	N	A	-1.8187
114	T	A	-1.7361
115	E	A	-2.9426
116	G	A	-2.3283
117	D	A	-2.2290
118	W	A	-1.0103
119	W	A	-0.4403
120	L	A	0.3996
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2134
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.0398
135	Y	A	1.3142	mutated: NA135Y
136	Y	A	0.9944
137	V	A	0.0000
138	A	A	0.4500
139	P	A	-0.1505
140	S	A	-0.1759