Project name: SH3_D91Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA91Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.587171 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: -3.0891
• Maximal score value: 1.2624
• Average score: -0.8479
• Total score value: -50.877

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	-0.4461
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6021
88	A	A	0.0000
89	L	A	-0.1695
90	Y	A	-0.4133
91	Q	A	-2.2028	mutated: DA91Q
92	Y	A	-1.7847
93	E	A	-2.7294
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3230
100	L	A	0.0000
101	S	A	-1.7731
102	F	A	0.0000
103	K	A	-3.0891
104	K	A	-2.5783
105	G	A	-1.8434
106	E	A	0.0000
107	R	A	-2.0483
108	L	A	0.0000
109	Q	A	-0.2064
110	I	A	0.4589
111	V	A	1.2624
112	N	A	-0.4144
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	-0.6973
120	L	A	0.4116
121	A	A	0.0000
122	H	A	-0.3659
123	S	A	0.0000
124	L	A	-0.2742
125	T	A	-0.7666
126	T	A	-0.8640
127	G	A	-0.8174
128	Q	A	-1.4114
129	T	A	-0.4887
130	G	A	0.0000
131	Y	A	0.2204
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.1123
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759