Project name: SH3_V111Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.253203 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: 0.2739
• Average score: -1.0657
• Total score value: -63.9423

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	-0.8106
82	S	A	-0.6771
83	H	A	-0.7873
84	M	A	0.2739
85	T	A	0.0000
86	F	A	-0.0954
87	V	A	-0.6176
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	-2.1605
97	E	A	-2.3591
98	T	A	-1.2512
99	D	A	-1.3416
100	L	A	0.0000
101	S	A	-1.9089
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	-2.0585
108	L	A	0.0000
109	Q	A	-0.9896
110	I	A	-0.9367
111	Q	A	-1.6265	mutated: VA111Q
112	N	A	-1.7086
113	N	A	-2.4255
114	T	A	-2.0300
115	E	A	-2.9075
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3341
119	W	A	-1.2412
120	L	A	-0.5137
121	A	A	0.0000
122	H	A	-1.0062
123	S	A	0.0000
124	L	A	-0.2593
125	T	A	-0.7746
126	T	A	-0.8689
127	G	A	-0.8017
128	Q	A	-1.3912
129	T	A	-0.8321
130	G	A	0.0000
131	Y	A	-0.1496
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2910
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1468
140	S	A	-0.1759