Project name: SH3_T126W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.616199 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: -3.0814
• Maximal score value: 1.2498
• Average score: -0.828
• Total score value: -49.6822

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	-0.5895
88	A	A	0.0000
89	L	A	-0.2637
90	Y	A	-0.6594
91	D	A	-2.7115
92	Y	A	-2.0148
93	E	A	-2.8180
94	S	A	0.0000
95	R	A	-2.7774
96	T	A	-2.1492
97	E	A	-2.3526
98	T	A	-1.2368
99	D	A	-1.3084
100	L	A	0.0000
101	S	A	-1.7026
102	F	A	0.0000
103	K	A	-3.0814
104	K	A	-2.7117
105	G	A	-1.8846
106	E	A	0.0000
107	R	A	-1.9302
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	-0.2542
123	S	A	0.0000
124	L	A	-0.0268
125	T	A	-0.3500
126	W	A	-0.0050	mutated: TA126W
127	G	A	-0.3935
128	Q	A	-1.0931
129	T	A	-0.3514
130	G	A	0.0000
131	Y	A	0.2255
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