Project name: SH3_Q109E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109E
Energy difference between WT (input) and mutated protein (by FoldX)	0.0175846 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: 1.1972
• Average score: -0.9064
• Total score value: -54.3811

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	-0.4723
82	S	A	-0.7111
83	H	A	-0.8117
84	M	A	0.2301
85	T	A	0.0000
86	F	A	-0.1513
87	V	A	-0.6465
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	-2.1018
108	L	A	0.0000
109	E	A	-0.4295	mutated: QA109E
110	I	A	0.3447
111	V	A	1.1972
112	N	A	-0.4431
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	-0.6988
120	L	A	0.3768
121	A	A	0.0000
122	H	A	-0.4494
123	S	A	0.0000
124	L	A	-0.2876
125	T	A	-0.7652
126	T	A	-0.8692
127	G	A	-0.8078
128	Q	A	-1.4084
129	T	A	-0.5163
130	G	A	0.0000
131	Y	A	0.2183
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1699
140	S	A	-0.1759