Project name: SH3_T126R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.887638 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: -3.431
• Maximal score value: 1.2498
• Average score: -0.9178
• Total score value: -55.0693

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	-0.6077
88	A	A	0.0000
89	L	A	-0.2908
90	Y	A	-0.7023
91	D	A	-2.7843
92	Y	A	-2.0549
93	E	A	-2.8405
94	S	A	0.0000
95	R	A	-2.7762
96	T	A	-2.1483
97	E	A	-2.3526
98	T	A	-1.2359
99	D	A	-1.2862
100	L	A	0.0000
101	S	A	-1.8791
102	F	A	0.0000
103	K	A	-3.4310
104	K	A	-2.7949
105	G	A	-1.9267
106	E	A	0.0000
107	R	A	-2.1722
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	-0.4402
123	S	A	0.0000
124	L	A	-0.4954
125	T	A	-1.1422
126	R	A	-1.6405	mutated: TA126R
127	G	A	-1.1182
128	Q	A	-1.4438
129	T	A	-0.4901
130	G	A	0.0000
131	Y	A	0.2266
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