Project name: SH3_Q110S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110S
Energy difference between WT (input) and mutated protein (by FoldX)	0.877719 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: 1.7926
• Average score: -0.91
• Total score value: -51.8679

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	0.6264
86	L	A	0.9981
87	F	A	1.0627
88	V	A	0.5113
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	-0.4957
109	F	A	0.0000
110	S	A	0.0952	mutated: QA110S
111	I	A	0.2369
112	L	A	0.3349
113	N	A	-0.8029
114	S	A	-1.1729
115	S	A	-1.5899
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9879
121	E	A	-1.0560
122	A	A	0.0000
123	R	A	-1.4645
124	S	A	0.0000
125	L	A	0.2611
126	T	A	-0.4326
127	T	A	-0.7956
128	G	A	-1.2635
129	E	A	-2.2180
130	T	A	-1.5959
131	G	A	-1.4872
132	Y	A	-0.8588
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9232
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4140
140	P	A	0.8311
141	V	A	1.7926