Project name: SH3_H122Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.130197 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: 1.1895
• Average score: -0.9174
• Total score value: -55.0432

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	-0.4493
82	S	A	-0.6803
83	H	A	-0.7896
84	M	A	0.2697
85	T	A	0.0000
86	F	A	-0.1007
87	V	A	-0.6204
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.2399
99	D	A	-1.3223
100	L	A	0.0000
101	S	A	-1.9013
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	-2.1254
108	L	A	0.0000
109	Q	A	-0.3496
110	I	A	0.3711
111	V	A	1.1895
112	N	A	-0.4370
113	N	A	-1.8067
114	T	A	-1.7277
115	E	A	-2.9333
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3423
119	W	A	-0.7289
120	L	A	0.3458
121	A	A	0.0000
122	Q	A	-0.7050	mutated: HA122Q
123	S	A	0.0000
124	L	A	-0.4047
125	T	A	-0.8508
126	T	A	-0.9482
127	G	A	-0.9302
128	Q	A	-1.5130
129	T	A	-0.6200
130	G	A	0.0000
131	Y	A	0.1732
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2867
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1490
140	S	A	-0.1759