Dynameomics - Rotamers

Glutamine (GLN)

Rotamer Library for GLN
Conformation			Prob (%)	Average Angles			PDB
Chi1	Chi2	Chi3	Prob (%)	Chi1	Chi2	Chi3	PDB
g+	g+	Ng+	0.0106	43.5	71.9	252.9	PDB
g+	g+	Og-	0.0058	44.0	85.9	286.1	PDB
g+	g+	Nt	0.0014	52.0	83.5	366.8	PDB
g+	g+	Og+	0.0061	56.2	79.9	54.2	PDB
g+	g+	Ng-	0.0004	57.8	110.5	102.6	PDB
g+	g+	Ot	0.0000	53.6	77.6	195.9	PDB
g+	t	Ng+	0.6936	53.8	169.8	247.0	PDB
g+	t	Og-	0.5766	54.5	176.5	292.8	PDB
g+	t	Nt	0.3403	56.7	178.9	360.9	PDB
g+	t	Og+	0.7442	55.5	174.3	65.5	PDB
g+	t	Ng-	0.4911	57.5	179.2	108.0	PDB
g+	t	Ot	0.0858	57.4	177.5	184.0	PDB
g+	g-	Ng+	0.0001	62.1	254.7	252.3	PDB
g+	g-	Og-	0.0021	62.8	276.1	308.4	PDB
g+	g-	Nt	0.0019	60.2	276.0	358.2	PDB
g+	g-	Og+	0.0180	56.3	267.3	70.5	PDB
g+	g-	Ng-	0.0105	54.6	273.6	102.3	PDB
g+	g-	Ot	0.0000	52.7	263.2	154.2	PDB
t	g+	Ng+	0.6043	187.5	61.8	249.2	PDB
t	g+	Og-	0.2141	187.5	69.7	283.8	PDB
t	g+	Nt	0.1335	188.8	69.9	370.8	PDB
t	g+	Og+	0.7947	187.7	66.9	60.5	PDB
t	g+	Ng-	0.0573	187.2	74.6	97.6	PDB
t	g+	Ot	0.0119	184.6	64.1	199.7	PDB
t	t	Ng+	1.5345	190.0	173.1	249.5	PDB
t	t	Og-	2.2113	190.5	180.0	294.5	PDB
t	t	Nt	1.4188	190.7	178.7	360.5	PDB
t	t	Og+	2.0930	189.6	177.3	62.3	PDB
t	t	Ng-	1.3854	191.9	184.6	110.5	PDB
t	t	Ot	0.2302	190.1	179.2	179.4	PDB
t	g-	Ng+	0.0055	193.2	252.1	259.1	PDB
t	g-	Og-	0.0858	200.9	278.3	304.4	PDB
t	g-	Nt	0.0358	206.4	280.5	351.7	PDB
t	g-	Og+	0.0661	208.9	271.6	66.5	PDB
t	g-	Ng-	0.0970	194.2	278.0	110.6	PDB
t	g-	Ot	0.0012	189.3	277.0	157.4	PDB
g-	g+	Ng+	0.3959	288.9	84.6	256.1	PDB
g-	g+	Og-	0.9569	295.9	97.3	293.7	PDB
g-	g+	Nt	0.4601	293.2	85.6	361.2	PDB
g-	g+	Og+	0.4347	282.7	76.7	50.8	PDB
g-	g+	Ng-	0.0073	277.4	92.6	98.2	PDB
g-	g+	Ot	0.0008	279.2	79.1	200.6	PDB
g-	t	Ng+	10.4447	290.9	178.1	249.0	PDB
g-	t	Og-	18.4243	293.1	185.7	296.6	PDB
g-	t	Nt	11.1630	291.1	181.9	358.6	PDB
g-	t	Og+	18.1513	290.1	180.8	64.2	PDB
g-	t	Ng-	14.8426	292.6	188.2	111.2	PDB
g-	t	Ot	2.3552	290.7	182.5	177.0	PDB
g-	g-	Ng+	0.1587	293.7	278.1	259.2	PDB
g-	g-	Og-	3.4285	291.7	293.6	302.9	PDB
g-	g-	Nt	1.0522	283.2	288.9	350.9	PDB
g-	g-	Og+	1.3063	287.2	283.7	69.1	PDB
g-	g-	Ng-	2.4028	292.4	296.2	110.1	PDB
g-	g-	Ot	0.0459	289.5	292.5	160.1	PDB

Rotamer Definitions for GLN
Angle	Conformation	Start Angle	Stop Angle
chi1	g+	0	120
chi1	t	120	240
chi1	g-	240	0
chi2	g+	0	120
chi2	t	120	240
chi2	g-	240	0
chi3	Og+	30	90
chi3	Ng-	90	150
chi3	Ot	150	210
chi3	Ng+	210	270
chi3	Og-	270	330
chi3	Nt	330	30