Project name: SH3_Q110D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110D
Energy difference between WT (input) and mutated protein (by FoldX)	0.364616 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: 1.7846
• Average score: -0.9845
• Total score value: -56.1137

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	0.4162
86	L	A	0.6284
87	F	A	0.8148
88	V	A	0.3849
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	-0.7038
109	F	A	0.0000
110	D	A	-0.8739	mutated: QA110D
111	I	A	-0.2834
112	L	A	0.0436
113	N	A	-0.9410
114	S	A	-1.1904
115	S	A	-1.5953
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0983
121	E	A	-1.2049
122	A	A	0.0000
123	R	A	-1.7892
124	S	A	0.0000
125	L	A	0.0608
126	T	A	-0.4326
127	T	A	-0.7956
128	G	A	-1.3663
129	E	A	-2.2180
130	T	A	-1.7158
131	G	A	-1.4956
132	Y	A	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9268
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4101
140	P	A	0.7288
141	V	A	1.7846