Project name: SH3_Q110W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110W
Energy difference between WT (input) and mutated protein (by FoldX)	0.155015 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: -3.1028
• Maximal score value: 1.7875
• Average score: -0.8349
• Total score value: -47.589

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
85	T	A	0.8507
86	L	A	1.4236
87	F	A	1.3331
88	V	A	0.6667
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0435
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2060
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.2929
108	K	A	-0.2159
109	F	A	0.0000
110	W	A	1.2567	mutated: QA110W
111	I	A	0.6122
112	L	A	0.2954
113	N	A	-0.8582
114	S	A	-1.2744
115	S	A	-1.6291
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9332
121	E	A	-0.9835
122	A	A	0.0000
123	R	A	-0.9224
124	S	A	0.0000
125	L	A	0.5790
126	T	A	-0.3992
127	T	A	-0.7578
128	G	A	-1.0544
129	E	A	-2.1427
130	T	A	-1.4032
131	G	A	-1.4832
132	Y	A	-0.8759
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9365
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4115
140	P	A	0.9518
141	V	A	1.7875