Project name: SH3_Q110R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.216099 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: 1.7698
• Average score: -1.0778
• Total score value: -61.4372

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	0.2349
86	L	A	0.2122
87	F	A	0.5542
88	V	A	0.2166
89	A	A	0.0000
90	L	A	-0.1516
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	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3880
108	K	A	-1.0747
109	F	A	0.0000
110	R	A	-1.8166	mutated: QA110R
111	I	A	-0.5885
112	L	A	0.0495
113	N	A	-0.9026
114	S	A	-1.1228
115	S	A	-1.5675
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.1494
121	E	A	-1.2792
122	A	A	0.0000
123	R	A	-2.3976
124	S	A	0.0000
125	L	A	-0.6396
126	T	A	-0.6951
127	T	A	-0.9687
128	G	A	-1.6768
129	E	A	-2.3774
130	T	A	-1.9481
131	G	A	-1.5257
132	Y	A	-0.8731
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4029
140	P	A	0.6308
141	V	A	1.7698