Project name: SH3_Q109T

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109T
Energy difference between WT (input) and mutated protein (by FoldX)	0.553175 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: -3.4838
• Maximal score value: 1.4097
• Average score: -0.8451
• Total score value: -50.7078

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	-0.3732
82	S	A	-0.5783
83	H	A	-0.7163
84	M	A	0.4009
85	T	A	0.0000
86	F	A	0.0672
87	V	A	-0.5335
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2410
99	D	A	-1.3224
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.8763
108	L	A	0.0000
109	T	A	0.4342	mutated: QA109T
110	I	A	0.7401
111	V	A	1.4097
112	N	A	-0.3507
113	N	A	-1.8146
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	-0.7089
120	L	A	0.4774
121	A	A	0.0000
122	H	A	-0.1905
123	S	A	0.0000
124	L	A	0.0565
125	T	A	-0.6855
126	T	A	-0.8216
127	G	A	-0.7560
128	Q	A	-1.3942
129	T	A	-0.4271
130	G	A	0.0000
131	Y	A	0.2055
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2858
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.0796
140	S	A	-0.1759