Project name: SH3_T114F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114F
Energy difference between WT (input) and mutated protein (by FoldX)	0.513215 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: 1.5938
• Average score: -0.777
• Total score value: -46.623

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	-0.4555
82	S	A	-0.6867
83	H	A	-0.7912
84	M	A	0.2614
85	T	A	0.0000
86	F	A	-0.1117
87	V	A	-0.6223
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	-2.1627
97	E	A	-2.3613
98	T	A	-1.2608
99	D	A	-1.3553
100	L	A	0.0000
101	S	A	-1.9143
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	-2.0752
108	L	A	0.0000
109	Q	A	-0.2330
110	I	A	0.4718
111	V	A	1.5938
112	N	A	0.4328
113	N	A	-0.7099
114	F	A	0.3618	mutated: TA114F
115	E	A	-1.9124
116	G	A	-2.1060
117	D	A	-2.4531
118	W	A	-1.0481
119	W	A	-0.2559
120	L	A	0.7294
121	A	A	0.0000
122	H	A	-0.3723
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	-0.5129
130	G	A	0.0000
131	Y	A	0.1772
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2993
135	N	A	-1.2487
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1543
140	S	A	-0.1759