01R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N19	C20	sing	1.47Å	1.47Å
N19	H19	sing	1.01Å	1.00Å
C20	C30	sing	1.53Å	1.50Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C30	N27	sing	1.46Å	1.42Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
N27	C21	sing	1.39Å	1.33Å
N27	H27	sing	0.97Å	1.00Å
C21	C22	doub	1.39Å	1.38Å	Aromatic
C21	C26	sing	1.39Å	1.40Å	Aromatic
C22	C23	sing	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	N24	doub	1.32Å	1.33Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
N24	C25	sing	1.32Å	1.35Å	Aromatic
C25	C26	doub	1.38Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
N19	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	N19	H19	109.5°	111.0°
N19	C20	C30	111.8°	109.5°
N19	C20	H201	108.7°	109.5°
N19	C20	H202	108.7°	109.4°
C20	N19	H2	109.5°	111.0°
H19	N19	H2	109.5°	111.0°
C30	C20	H201	108.7°	109.5°
C30	C20	H202	108.7°	109.4°
C20	C30	N27	108.0°	109.5°
C20	C30	H301	110.0°	109.5°
C20	C30	H302	110.0°	109.4°
H201	C20	H202	110.2°	109.5°
N27	C30	H301	110.0°	109.5°
N27	C30	H302	110.0°	109.4°
C30	N27	C21	121.7°	120.0°
C30	N27	H27	105.6°	120.0°
H301	C30	H302	109.0°	109.5°
C21	N27	H27	105.6°	120.0°
N27	C21	C22	116.3°	120.8°
N27	C21	C26	124.7°	120.9°
C22	C21	C26	118.9°	118.3°
C21	C22	C23	119.8°	119.0°
C21	C22	H22	120.1°	120.5°
C21	C26	C25	118.9°	119.1°
C21	C26	H26	120.5°	120.5°
C23	C22	H22	120.1°	120.5°
C22	C23	N24	120.5°	120.9°
C22	C23	H23	119.8°	119.5°
N24	C23	H23	119.7°	119.6°
C23	N24	C25	121.0°	121.9°
N24	C25	C26	120.9°	120.8°
N24	C25	H25	119.6°	119.6°
C26	C25	H25	119.6°	119.6°
C25	C26	H26	120.6°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	N19	H19	H2	120.0°	123.9°
N19	C20	C30	H201	120.0°	120.1°
N19	C20	C30	H202	120.0°	119.9°
N19	C20	H201	H202	119.0°	120.0°
N19	C20	C30	N27	100.6°	180.0°
N19	C20	C30	H301	19.4°	59.9°
N19	C20	C30	H302	139.4°	60.1°
H19	N19	C20	C30	180.0°	56.0°
H19	N19	C20	H201	60.0°	176.1°
H19	N19	C20	H202	60.0°	63.9°
C30	C20	H201	H202	119.0°	120.0°
C20	C30	N27	H301	120.0°	120.1°
C20	C30	N27	H302	120.0°	119.9°
C20	C30	H301	H302	120.6°	120.0°
C20	C30	N27	C21	168.6°	180.0°
C20	C30	N27	H27	71.4°	0.1°
C30	C20	N19	H2	60.0°	180.0°
H201	C20	C30	N27	139.4°	59.9°
H201	C20	C30	H301	100.6°	180.0°
H201	C20	C30	H302	19.4°	60.0°
H201	C20	N19	H2	60.0°	60.0°
H202	C20	C30	N27	19.4°	60.1°
H202	C20	C30	H301	139.4°	60.0°
H202	C20	C30	H302	100.6°	180.0°
H202	C20	N19	H2	180.0°	60.0°
N27	C30	H301	H302	120.6°	120.0°
C30	N27	C21	H27	120.0°	179.9°
C30	N27	C21	C22	172.9°	180.0°
C30	N27	C21	C26	9.9°	0.3°
H301	C30	N27	C21	48.6°	60.0°
H301	C30	N27	H27	168.5°	120.0°
H302	C30	N27	C21	71.4°	60.0°
H302	C30	N27	H27	48.6°	120.0°
N27	C21	C22	C26	177.5°	179.7°
N27	C21	C22	C23	178.0°	180.0°
N27	C21	C22	H22	2.0°	0.0°
N27	C21	C26	C25	177.7°	179.8°
N27	C21	C26	H26	2.3°	0.0°
H27	N27	C21	C22	52.9°	0.0°
H27	N27	C21	C26	129.8°	179.7°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	N24	0.8°	0.0°
C21	C22	C23	H23	179.2°	179.9°
C22	C21	C26	C25	0.5°	0.5°
C22	C21	C26	H26	179.5°	179.7°
C26	C21	C22	C23	0.5°	0.3°
C26	C21	C22	H22	179.4°	179.8°
C21	C26	C25	N24	0.7°	0.5°
C21	C26	C25	H26	180.0°	179.8°
C21	C26	C25	H25	179.3°	179.7°
C22	C23	N24	H23	180.0°	179.9°
C22	C23	N24	C25	0.9°	0.1°
H22	C22	C23	N24	179.2°	179.9°
H22	C22	C23	H23	0.8°	0.1°
C23	N24	C25	C26	0.9°	0.2°
C23	N24	C25	H25	179.1°	180.0°
H23	C23	N24	C25	179.1°	180.0°
N24	C25	C26	H25	180.0°	179.8°
N24	C25	C26	H26	179.3°	179.7°
H25	C25	C26	H26	0.7°	0.1°

Definition date:	2011-02-24
Last modified:	2012-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	1QBV