Project name: SH3_T126E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126E
Energy difference between WT (input) and mutated protein (by FoldX)	0.679854 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: -3.6337
• Maximal score value: 1.2498
• Average score: -0.9848
• Total score value: -59.088

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	-0.6176
88	A	A	0.0000
89	L	A	-0.3055
90	Y	A	-0.7256
91	D	A	-2.8342
92	Y	A	-2.0956
93	E	A	-2.8762
94	S	A	0.0000
95	R	A	-2.7842
96	T	A	-2.1544
97	E	A	-2.3526
98	T	A	-1.2417
99	D	A	-1.3168
100	L	A	0.0000
101	S	A	-2.0791
102	F	A	0.0000
103	K	A	-3.6337
104	K	A	-2.8401
105	G	A	-1.9498
106	E	A	0.0000
107	R	A	-2.3048
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.6198
123	S	A	0.0000
124	L	A	-0.8017
125	T	A	-1.6197
126	E	A	-2.6295	mutated: TA126E
127	G	A	-1.6472
128	Q	A	-1.9241
129	T	A	-0.7114
130	G	A	0.0000
131	Y	A	0.2192
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
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