Project name: SH3_Q109F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.841132 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: 1.5919
• Average score: -0.8179
• Total score value: -49.0734

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	-0.3237
82	S	A	-0.5115
83	H	A	-0.6950
84	M	A	0.4250
85	T	A	0.0000
86	F	A	0.2029
87	V	A	-0.4509
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	-1.8065
108	L	A	0.0000
109	F	A	1.0100	mutated: QA109F
110	I	A	1.0380
111	V	A	1.5919
112	N	A	-0.2709
113	N	A	-1.8173
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	-0.7041
120	L	A	0.5772
121	A	A	0.0000
122	H	A	0.0329
123	S	A	0.0000
124	L	A	-0.0344
125	T	A	-0.7956
126	T	A	-0.8892
127	G	A	-0.8313
128	Q	A	-1.4242
129	T	A	-0.3596
130	G	A	0.0000
131	Y	A	0.2139
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2872
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.0347
140	S	A	-0.1966