Project name: SH3_T129Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.708666 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: -3.4838
• Maximal score value: 0.9637
• Average score: -0.831
• Total score value: -49.8629

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	-0.5019
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6167
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1552
97	E	A	-2.3537
98	T	A	-1.0275
99	D	A	-1.0844
100	L	A	0.0000
101	S	A	-1.7053
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.9994
108	L	A	0.0000
109	Q	A	-0.1461
110	I	A	0.3619
111	V	A	0.9637
112	N	A	-0.6305
113	N	A	-1.9122
114	T	A	-1.7807
115	E	A	-2.9337
116	G	A	-2.6065
117	D	A	-2.6855
118	W	A	-1.3443
119	W	A	-0.7974
120	L	A	0.5088
121	A	A	0.0000
122	H	A	0.0816
123	S	A	0.0000
124	L	A	0.1165
125	T	A	-0.6810
126	T	A	-0.6380
127	G	A	-0.4656
128	Q	A	-0.7269
129	Y	A	0.8217	mutated: TA129Y
130	G	A	0.0000
131	Y	A	0.4199
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2879
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759