Project name: SH3_Q109A

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109A
Energy difference between WT (input) and mutated protein (by FoldX)	0.68999 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: 1.4173
• Average score: -0.8352
• Total score value: -50.1123

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	-0.3698
82	S	A	-0.5739
83	H	A	-0.7139
84	M	A	0.4046
85	T	A	0.0425
86	F	A	0.0730
87	V	A	-0.5305
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	-1.2410
99	D	A	-1.3224
100	L	A	0.0000
101	S	A	-1.9031
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	-1.8264
108	L	A	0.0000
109	A	A	0.4946	mutated: QA109A
110	I	A	0.7544
111	V	A	1.4173
112	N	A	-0.3473
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	-0.7098
120	L	A	0.4802
121	A	A	0.0000
122	H	A	-0.1521
123	S	A	0.0000
124	L	A	0.2091
125	T	A	-0.6141
126	T	A	-0.7782
127	G	A	-0.7087
128	Q	A	-1.3704
129	T	A	-0.4091
130	G	A	0.0000
131	Y	A	0.2040
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	-0.0222
139	P	A	-0.0776
140	S	A	-0.1780