Project name: SH3_T126G

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126G
Energy difference between WT (input) and mutated protein (by FoldX)	0.587921 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: -3.584
• Maximal score value: 1.2498
• Average score: -0.9628
• Total score value: -57.7667

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	-0.1320
87	V	A	-0.6756
88	A	A	0.0000
89	L	A	-0.3389
90	Y	A	-0.7575
91	D	A	-2.8765
92	Y	A	-2.1109
93	E	A	-2.8882
94	S	A	0.0000
95	R	A	-2.7861
96	T	A	-2.1559
97	E	A	-2.3526
98	T	A	-1.2432
99	D	A	-1.3268
100	L	A	0.0000
101	S	A	-1.9665
102	F	A	0.0000
103	K	A	-3.5840
104	K	A	-2.9148
105	G	A	-2.0495
106	E	A	-2.0465
107	R	A	-2.2185
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	-0.4462
123	S	A	0.0000
124	L	A	-0.4469
125	T	A	-1.0529
126	G	A	-1.3424	mutated: TA126G
127	G	A	-1.0240
128	Q	A	-1.5539
129	T	A	-0.5563
130	G	A	0.0000
131	Y	A	0.2174
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