Project name: SH3_T114E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0988114 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: -3.755
• Maximal score value: 1.1269
• Average score: -0.9788
• Total score value: -58.7273

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	-0.1044
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	-2.1566
97	E	A	-2.3551
98	T	A	-1.2472
99	D	A	-1.3324
100	L	A	0.0000
101	S	A	-1.9066
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2286
110	I	A	0.4826
111	V	A	1.1269
112	N	A	-0.7711
113	N	A	-2.5901
114	E	A	-3.4317	mutated: TA114E
115	E	A	-3.7550
116	G	A	-3.0048
117	D	A	-2.8963
118	W	A	-1.5696
119	W	A	-0.9890
120	L	A	0.2365
121	A	A	0.0000
122	H	A	-0.3686
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	-0.4993
130	G	A	0.0000
131	Y	A	0.2202
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2885
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759