Project name: SH3_T126M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.677135 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: -3.4093
• Maximal score value: 1.2498
• Average score: -0.8565
• Total score value: -51.3876

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	-0.6213
88	A	A	0.0000
89	L	A	-0.3111
90	Y	A	-0.7345
91	D	A	-2.8439
92	Y	A	-2.0941
93	E	A	-2.8686
94	S	A	0.0000
95	R	A	-2.7794
96	T	A	-2.1508
97	E	A	-2.3526
98	T	A	-1.2383
99	D	A	-1.3027
100	L	A	0.0000
101	S	A	-1.7929
102	F	A	0.0000
103	K	A	-3.4093
104	K	A	-2.8573
105	G	A	-1.9596
106	E	A	0.0000
107	R	A	-1.9960
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	-0.2680
123	S	A	0.0000
124	L	A	-0.0882
125	T	A	-0.4905
126	M	A	-0.2810	mutated: TA126M
127	G	A	-0.4827
128	Q	A	-1.0969
129	T	A	-0.3496
130	G	A	0.0000
131	Y	A	0.2236
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