PRF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.36Å	1.39Å
N1	C6	sing	1.35Å	1.37Å
N1	H91	sing	0.97Å	1.02Å
C2	N3	doub	1.31Å	1.30Å
C2	N2	sing	1.37Å	1.29Å
N3	C4	sing	1.34Å	1.47Å
C4	C5	doub	1.40Å	1.34Å	Aromatic
C4	N9	sing	1.36Å	1.30Å	Aromatic
C5	C6	sing	1.41Å	1.48Å
C5	C7	sing	1.46Å	1.47Å	Aromatic
C6	O6	doub	1.22Å	1.21Å
C7	C10	sing	1.51Å	1.50Å
C7	C8	doub	1.34Å	1.32Å	Aromatic
C10	N11	sing	1.47Å	1.49Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
N11	H111	sing	1.01Å	1.02Å
N11	H112	sing	1.01Å	1.02Å
C8	N9	sing	1.37Å	1.29Å	Aromatic
C8	H81	sing	1.08Å	1.10Å
N9	HN91	sing	0.97Å	1.02Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	122.3°	120.2°
C2	N1	H91	119.4°	119.9°
N1	C2	N3	120.5°	122.1°
N1	C2	N2	117.9°	119.0°
C6	N1	H91	118.3°	119.9°
N1	C6	C5	117.6°	118.2°
N1	C6	O6	123.7°	120.9°
N3	C2	N2	121.6°	118.9°
C2	N3	C4	120.8°	121.2°
C2	N2	HN21	117.8°	120.0°
C2	N2	HN22	109.2°	120.0°
N3	C4	C5	120.4°	119.1°
N3	C4	N9	129.7°	133.6°
C5	C4	N9	109.9°	107.3°
C4	C5	C6	118.4°	119.2°
C4	C5	C7	103.3°	106.3°
C4	N9	C8	111.8°	110.1°
C4	N9	HN91	124.4°	125.0°
C6	C5	C7	138.2°	134.5°
C5	C6	O6	118.7°	120.9°
C5	C7	C10	128.2°	126.7°
C5	C7	C8	106.1°	106.7°
C10	C7	C8	125.7°	126.6°
C7	C10	N11	121.0°	109.4°
C7	C10	H101	108.1°	109.4°
C7	C10	H102	108.1°	109.5°
C7	C8	N9	108.9°	109.6°
C7	C8	H81	126.5°	125.2°
N11	C10	H101	108.1°	109.5°
N11	C10	H102	108.1°	109.5°
C10	N11	H111	121.1°	106.7°
C10	N11	H112	108.1°	106.8°
H101	C10	H102	101.9°	109.5°
H111	N11	H112	108.1°	106.6°
N9	C8	H81	124.6°	125.2°
C8	N9	HN91	123.8°	124.9°
HN21	N2	HN22	109.2°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	H91	180.0°	179.9°
N1	C2	N3	N2	180.0°	179.9°
N1	C2	N3	C4	0.4°	0.1°
C2	N1	C6	C5	0.0°	0.2°
C2	N1	C6	O6	179.8°	180.0°
N1	C2	N2	HN21	180.0°	180.0°
N1	C2	N2	HN22	54.8°	0.0°
C6	N1	C2	N3	0.4°	0.1°
C6	N1	C2	N2	179.6°	180.0°
N1	C6	C5	C4	0.4°	0.5°
N1	C6	C5	O6	179.8°	179.8°
N1	C6	C5	C7	179.8°	179.6°
H91	N1	C2	N3	179.6°	180.0°
H91	N1	C2	N2	0.4°	0.1°
H91	N1	C6	C5	180.0°	179.7°
H91	N1	C6	O6	0.2°	0.1°
C2	N3	C4	C5	0.1°	0.2°
C2	N3	C4	N9	179.8°	179.9°
N3	C2	N2	HN21	0.0°	0.0°
N3	C2	N2	HN22	125.2°	179.9°
N2	C2	N3	C4	179.6°	180.0°
C2	N2	HN21	HN22	125.3°	180.0°
N3	C4	C5	N9	179.8°	179.8°
N3	C4	C5	C6	0.5°	0.5°
N3	C4	C5	C7	180.0°	179.8°
N3	C4	N9	C8	179.9°	180.0°
N3	C4	N9	HN91	0.2°	0.0°
C4	C5	C6	C7	179.4°	179.1°
C4	C5	C6	O6	179.7°	179.8°
C4	C5	C7	C10	179.8°	179.8°
C4	C5	C7	C8	0.2°	0.3°
C5	C4	N9	C8	0.1°	0.3°
C5	C4	N9	HN91	179.9°	179.8°
N9	C4	C5	C6	179.7°	179.7°
N9	C4	C5	C7	0.2°	0.4°
C4	N9	C8	C7	0.0°	0.1°
C4	N9	C8	HN91	180.0°	180.0°
C4	N9	C8	H81	180.0°	180.0°
C6	C5	C7	C10	0.4°	0.6°
C6	C5	C7	C8	179.6°	179.6°
C7	C5	C6	O6	0.4°	0.6°
C5	C7	C10	C8	180.0°	179.8°
C5	C7	C10	N11	177.5°	179.7°
C5	C7	C10	H101	52.2°	59.8°
C5	C7	C10	H102	57.3°	60.2°
C5	C7	C8	N9	0.1°	0.2°
C5	C7	C8	H81	179.9°	179.8°
C7	C10	N11	H101	125.3°	119.9°
C7	C10	N11	H102	125.2°	120.0°
C7	C10	H101	H102	113.7°	120.0°
C7	C10	N11	H111	180.0°	180.0°
C7	C10	N11	H112	54.7°	66.2°
C10	C7	C8	N9	179.9°	180.0°
C10	C7	C8	H81	0.1°	0.1°
C8	C7	C10	N11	2.5°	0.1°
C8	C7	C10	H101	127.8°	120.0°
C8	C7	C10	H102	122.7°	120.0°
C7	C8	N9	H81	180.0°	179.9°
C7	C8	N9	HN91	179.9°	180.0°
N11	C10	H101	H102	113.7°	120.0°
C10	N11	H111	H112	125.3°	113.8°
H101	C10	N11	H111	54.7°	60.0°
H101	C10	N11	H112	70.5°	53.7°
H102	C10	N11	H111	54.8°	60.0°
H102	C10	N11	H112	179.9°	173.7°
H81	C8	N9	HN91	0.0°	0.0°

Definition date:	2000-02-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1EFZ