Project name: SH3_Q109K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.577644 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: 1.1838
• Average score: -0.9031
• Total score value: -54.1871

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	-0.4788
82	S	A	-0.7198
83	H	A	-0.8180
84	M	A	0.2189
85	T	A	0.0000
86	F	A	-0.1657
87	V	A	-0.6539
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
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	-2.0759
108	L	A	0.0000
109	K	A	-0.4574	mutated: QA109K
110	I	A	0.3193
111	V	A	1.1838
112	N	A	-0.4490
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	-0.6979
120	L	A	0.3707
121	A	A	0.0000
122	H	A	-0.4296
123	S	A	0.0000
124	L	A	-0.1778
125	T	A	-0.7055
126	T	A	-0.8318
127	G	A	-0.7657
128	Q	A	-1.3842
129	T	A	-0.5042
130	G	A	0.0000
131	Y	A	0.2195
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	-0.1758
140	S	A	-0.1759