Project name: SH3_E97Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA97Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.269923 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: -3.4841
• Maximal score value: 1.2627
• Average score: -0.8653
• Total score value: -51.9187

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	-0.6167
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8530
92	Y	A	-2.1058
93	E	A	-2.8818
94	S	A	0.0000
95	R	A	-2.6406
96	T	A	-1.8519
97	Q	A	-1.7303	mutated: EA97Q
98	T	A	-0.9382
99	D	A	-1.1436
100	L	A	0.0000
101	S	A	-1.9041
102	F	A	0.0000
103	K	A	-3.4841
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0632
108	L	A	0.0000
109	Q	A	-0.2064
110	I	A	0.4592
111	V	A	1.2627
112	N	A	-0.4141
113	N	A	-1.8139
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6842
118	W	A	-1.3415
119	W	A	-0.6962
120	L	A	0.4130
121	A	A	0.0000
122	H	A	-0.3655
123	S	A	0.0000
124	L	A	-0.2742
125	T	A	-0.7820
126	T	A	-0.8789
127	G	A	-0.8174
128	Q	A	-1.4115
129	T	A	-0.4880
130	G	A	0.0000
131	Y	A	0.2918
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759