Project name: SH3_Q109W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.569358 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: 0.6836
• Average score: -0.8853
• Total score value: -53.1168

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	-0.4873
82	S	A	-0.5338
83	H	A	-0.6785
84	M	A	0.4085
85	T	A	0.1722
86	F	A	0.1528
87	V	A	-0.4457
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	-1.2413
99	D	A	-1.3224
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	-1.7155
108	L	A	0.0000
109	W	A	0.6836	mutated: QA109W
110	I	A	0.0000
111	V	A	0.3535
112	N	A	-0.8897
113	N	A	-2.1410
114	T	A	-1.8589
115	E	A	-2.9354
116	G	A	-2.6077
117	D	A	-2.6836
118	W	A	-1.3406
119	W	A	-0.9904
120	L	A	0.1347
121	A	A	0.0000
122	H	A	-0.1877
123	S	A	0.0000
124	L	A	0.3509
125	T	A	-0.6120
126	T	A	-0.7755
127	G	A	-0.7050
128	Q	A	-1.3552
129	T	A	-0.4750
130	G	A	0.0000
131	Y	A	0.0488
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3217
135	N	A	-1.2481
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0222
139	P	A	-0.0601
140	S	A	-0.1934