HCP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	doub	1.39Å	1.36Å	Aromatic
C3	C4	sing	1.40Å	1.45Å	Aromatic
C3	O1	sing	1.36Å	1.43Å
C2	N1	sing	1.32Å	1.43Å	Aromatic
C2	C2A	sing	1.51Å	1.51Å
N1	C6	doub	1.32Å	1.29Å	Aromatic
C6	C5	sing	1.38Å	1.48Å	Aromatic
C6	HC6	sing	1.08Å	1.10Å
C4	C4A	sing	1.48Å	1.49Å
C4	C5	doub	1.40Å	1.34Å	Aromatic
C4A	N2	doub	1.29Å	1.30Å
C4A	HC4	sing	1.08Å	1.10Å
N2	C	sing	1.46Å	1.46Å
C	CA1	sing	1.54Å	1.57Å
C	CA2	sing	1.55Å	1.57Å
C	P2	sing	1.82Å	1.83Å
CA1	CB1	sing	1.54Å	1.53Å
CA1	HA11	sing	1.09Å	1.12Å
CA1	HA12	sing	1.09Å	1.11Å
CB1	CB2	sing	1.54Å	1.62Å
CB1	HB11	sing	1.09Å	1.12Å
CB1	HB12	sing	1.09Å	1.11Å
CB2	CA2	sing	1.55Å	1.54Å
CB2	HB21	sing	1.09Å	1.11Å
CB2	HB22	sing	1.09Å	1.11Å
CA2	HA21	sing	1.09Å	1.12Å
CA2	HA22	sing	1.09Å	1.11Å
P2	O6	sing	1.61Å	1.58Å
P2	O7	doub	1.48Å	1.57Å
P2	O8	sing	1.61Å	1.57Å
O6	HO6	sing	0.97Å	0.95Å
O8	HO8	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å
C2A	HC21	sing	1.09Å	1.11Å
C2A	HC22	sing	1.09Å	1.11Å
C2A	HC23	sing	1.09Å	1.11Å
C5	C5A	sing	1.51Å	1.48Å
C5A	O2	sing	1.43Å	1.38Å
C5A	HC51	sing	1.09Å	1.12Å
C5A	HC52	sing	1.09Å	1.11Å
O2	P1	sing	1.61Å	1.51Å
P1	O5	doub	1.48Å	1.53Å
P1	O3	sing	1.61Å	1.53Å
P1	O4	sing	1.61Å	1.52Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C3	C4	118.8°	118.9°
C2	C3	O1	119.2°	120.5°
C3	C2	N1	122.2°	120.8°
C3	C2	C2A	118.2°	119.6°
C4	C3	O1	122.0°	120.6°
C3	C4	C4A	119.7°	121.0°
C3	C4	C5	117.8°	118.1°
C3	O1	HO1	119.2°	106.8°
N1	C2	C2A	119.5°	119.6°
C2	N1	C6	119.9°	122.1°
C2	C2A	HC21	109.0°	109.5°
C2	C2A	HC22	118.2°	109.5°
C2	C2A	HC23	109.1°	109.5°
N1	C6	C5	119.8°	121.1°
N1	C6	HC6	113.3°	119.5°
C5	C6	HC6	127.0°	119.5°
C6	C5	C4	121.4°	119.1°
C6	C5	C5A	116.0°	120.4°
C4A	C4	C5	122.3°	121.0°
C4	C4A	N2	124.2°	120.0°
C4	C4A	HC4	125.3°	120.0°
C4	C5	C5A	122.6°	120.5°
N2	C4A	HC4	110.5°	120.0°
C4A	N2	C	118.6°	120.0°
N2	C	CA1	114.5°	110.5°
N2	C	CA2	110.4°	110.5°
N2	C	P2	102.1°	110.4°
CA1	C	CA2	99.0°	104.2°
CA1	C	P2	118.9°	110.5°
C	CA1	CB1	100.1°	106.6°
C	CA1	HA11	115.8°	110.1°
C	CA1	HA12	115.9°	110.0°
CA2	C	P2	112.1°	110.6°
C	CA2	CB2	99.7°	102.7°
C	CA2	HA21	116.0°	110.7°
C	CA2	HA22	115.9°	110.8°
C	P2	O6	120.1°	109.5°
C	P2	O7	107.2°	109.4°
C	P2	O8	108.7°	109.5°
CB1	CA1	HA11	115.8°	109.9°
CB1	CA1	HA12	115.8°	110.0°
CA1	CB1	CB2	104.3°	106.6°
CA1	CB1	HB11	114.2°	110.1°
CA1	CB1	HB12	114.2°	110.0°
HA11	CA1	HA12	94.6°	110.1°
CB2	CB1	HB11	114.2°	110.1°
CB2	CB1	HB12	114.2°	110.0°
CB1	CB2	CA2	104.7°	104.2°
CB1	CB2	HB21	114.0°	110.4°
CB1	CB2	HB22	114.0°	110.5°
HB11	CB1	HB12	96.3°	110.0°
CA2	CB2	HB21	114.0°	110.5°
CA2	CB2	HB22	114.0°	110.5°
CB2	CA2	HA21	116.0°	110.7°
CB2	CA2	HA22	116.0°	110.8°
HB21	CB2	HB22	96.5°	110.5°
HA21	CA2	HA22	94.4°	110.9°
O6	P2	O7	107.6°	109.5°
O6	P2	O8	104.7°	109.5°
P2	O6	HO6	120.1°	106.8°
O7	P2	O8	107.9°	109.5°
P2	O8	HO8	108.7°	106.8°
HC21	C2A	HC22	109.0°	109.5°
HC21	C2A	HC23	101.0°	109.4°
HC22	C2A	HC23	109.1°	109.5°
C5	C5A	O2	114.0°	109.5°
C5	C5A	HC51	110.5°	109.5°
C5	C5A	HC52	110.6°	109.4°
O2	C5A	HC51	110.6°	109.5°
O2	C5A	HC52	110.5°	109.5°
C5A	O2	P1	106.0°	106.8°
HC51	C5A	HC52	99.7°	109.4°
O2	P1	O5	114.1°	109.5°
O2	P1	O3	114.1°	109.4°
O2	P1	O4	101.9°	109.5°
O5	P1	O3	114.8°	109.5°
O5	P1	O4	102.2°	109.5°
O3	P1	O4	107.9°	109.5°
P1	O3	HO3	114.1°	106.7°
P1	O4	HO4	101.9°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C3	C4	O1	178.7°	179.4°
C3	C2	N1	C2A	177.9°	179.7°
C3	C2	N1	C6	1.8°	0.3°
C2	C3	C4	C4A	174.5°	179.8°
C2	C3	C4	C5	1.3°	0.6°
C2	C3	O1	HO1	180.0°	90.6°
C3	C2	C2A	HC21	54.7°	90.3°
C3	C2	C2A	HC22	180.0°	29.7°
C3	C2	C2A	HC23	54.7°	149.7°
C4	C3	C2	N1	0.2°	0.6°
C4	C3	C2	C2A	177.8°	179.7°
C3	C4	C5	C6	0.8°	0.3°
C3	C4	C4A	C5	175.6°	179.6°
C3	C4	C4A	N2	2.6°	0.4°
C3	C4	C4A	HC4	177.4°	179.7°
C4	C3	O1	HO1	1.3°	90.0°
C3	C4	C5	C5A	179.8°	179.6°
O1	C3	C2	N1	178.9°	180.0°
O1	C3	C2	C2A	0.9°	0.3°
O1	C3	C4	C4A	4.2°	0.3°
O1	C3	C4	C5	180.0°	180.0°
C2	N1	C6	C5	2.4°	0.0°
C2	N1	C6	HC6	177.7°	180.0°
N1	C2	C2A	HC21	123.3°	90.0°
N1	C2	C2A	HC22	2.0°	150.0°
N1	C2	C2A	HC23	127.3°	30.0°
C2A	C2	N1	C6	179.7°	180.0°
C2	C2A	HC21	HC22	130.4°	120.0°
C2	C2A	HC21	HC23	114.8°	120.0°
C2	C2A	HC22	HC23	125.3°	120.0°
N1	C6	C5	HC6	180.0°	180.0°
N1	C6	C5	C4	1.1°	0.0°
N1	C6	C5	C5A	178.4°	179.9°
C6	C5	C4	C4A	174.9°	180.0°
C6	C5	C4	C5A	179.5°	179.9°
C6	C5	C5A	O2	84.6°	0.0°
C6	C5	C5A	HC51	150.1°	120.1°
C6	C5	C5A	HC52	40.6°	120.0°
HC6	C6	C5	C4	178.9°	180.0°
HC6	C6	C5	C5A	1.6°	0.0°
C4	C4A	N2	HC4	180.0°	179.9°
C4	C4A	N2	C	162.7°	179.9°
C4A	C4	C5	C5A	4.5°	0.0°
C5	C4	C4A	N2	178.2°	180.0°
C5	C4	C4A	HC4	1.8°	0.1°
C4	C5	C5A	O2	95.9°	180.0°
C4	C5	C5A	HC51	29.4°	59.9°
C4	C5	C5A	HC52	138.9°	60.0°
C4A	N2	C	CA1	31.3°	180.0°
C4A	N2	C	CA2	79.3°	65.2°
C4A	N2	C	P2	161.2°	57.4°
HC4	C4A	N2	C	17.3°	0.0°
N2	C	CA1	CA2	117.4°	118.7°
N2	C	CA1	P2	121.0°	122.5°
N2	C	CA2	P2	113.2°	122.5°
N2	C	CA1	CB1	171.0°	95.1°
N2	C	CA1	HA11	45.8°	145.7°
N2	C	CA1	HA12	63.7°	24.2°
N2	C	CA2	CB2	173.7°	80.8°
N2	C	CA2	HA21	61.0°	37.5°
N2	C	CA2	HA22	48.5°	160.9°
N2	C	P2	O6	174.8°	179.3°
N2	C	P2	O7	51.7°	60.7°
N2	C	P2	O8	64.6°	59.2°
CA1	C	CA2	P2	126.4°	118.7°
C	CA1	CB1	HA11	125.2°	119.3°
C	CA1	CB1	HA12	125.3°	119.3°
C	CA1	HA11	HA12	121.7°	121.5°
C	CA1	CB1	CB2	32.7°	0.1°
C	CA1	CB1	HB11	157.9°	119.3°
C	CA1	CB1	HB12	92.6°	119.3°
CA1	C	CA2	CB2	53.3°	38.0°
CA1	C	CA2	HA21	178.6°	156.2°
CA1	C	CA2	HA22	72.0°	80.3°
CA1	C	P2	O6	58.1°	58.2°
CA1	C	P2	O7	178.8°	61.9°
CA1	C	P2	O8	62.4°	178.2°
CA2	C	CA1	CB1	53.6°	23.6°
CA2	C	CA1	HA11	71.6°	95.6°
CA2	C	CA1	HA12	178.9°	142.9°
C	CA2	CB2	CB1	32.6°	38.0°
C	CA2	CB2	HA21	125.3°	118.3°
C	CA2	CB2	HA22	125.2°	118.3°
C	CA2	CB2	HB21	157.8°	156.6°
C	CA2	CB2	HB22	92.7°	80.8°
C	CA2	HA21	HA22	121.7°	123.4°
CA2	C	P2	O6	56.6°	56.7°
CA2	C	P2	O7	66.5°	176.7°
CA2	C	P2	O8	177.1°	63.3°
P2	C	CA1	CB1	67.9°	142.4°
P2	C	CA1	HA11	166.8°	23.2°
P2	C	CA1	HA12	57.3°	98.4°
P2	C	CA2	CB2	73.1°	156.7°
P2	C	CA2	HA21	52.2°	85.1°
P2	C	CA2	HA22	161.7°	38.4°
C	P2	O6	O7	123.0°	120.0°
C	P2	O6	O8	122.5°	120.0°
C	P2	O7	O8	116.9°	119.9°
C	P2	O6	HO6	180.0°	180.0°
C	P2	O8	HO8	180.0°	60.1°
CB1	CA1	HA11	HA12	121.6°	121.4°
CA1	CB1	CB2	HB11	125.3°	119.4°
CA1	CB1	CB2	HB12	125.3°	119.2°
CA1	CB1	HB11	HB12	120.1°	121.3°
CA1	CB1	CB2	CA2	0.1°	23.7°
CA1	CB1	CB2	HB21	125.2°	142.3°
CA1	CB1	CB2	HB22	125.3°	95.0°
HA11	CA1	CB1	CB2	92.6°	119.3°
HA11	CA1	CB1	HB11	32.7°	0.1°
HA11	CA1	CB1	HB12	142.1°	121.4°
HA12	CA1	CB1	CB2	158.0°	119.2°
HA12	CA1	CB1	HB11	76.8°	121.4°
HA12	CA1	CB1	HB12	32.7°	0.0°
CB2	CB1	HB11	HB12	120.1°	121.4°
CB1	CB2	CA2	HB21	125.3°	118.6°
CB1	CB2	CA2	HB22	125.3°	118.8°
CB1	CB2	HB21	HB22	119.9°	122.7°
CB1	CB2	CA2	HA21	157.9°	156.3°
CB1	CB2	CA2	HA22	92.6°	80.3°
HB11	CB1	CB2	CA2	125.3°	95.7°
HB11	CB1	CB2	HB21	0.1°	22.9°
HB11	CB1	CB2	HB22	109.4°	145.6°
HB12	CB1	CB2	CA2	125.2°	142.9°
HB12	CB1	CB2	HB21	109.5°	98.5°
HB12	CB1	CB2	HB22	0.0°	24.2°
CA2	CB2	HB21	HB22	119.9°	122.6°
CB2	CA2	HA21	HA22	121.8°	123.4°
HB21	CB2	CA2	HA21	76.9°	85.1°
HB21	CB2	CA2	HA22	32.6°	38.3°
HB22	CB2	CA2	HA21	32.6°	37.5°
HB22	CB2	CA2	HA22	142.1°	160.9°
O6	P2	O7	O8	112.5°	120.1°
O6	P2	O8	HO8	50.4°	59.9°
O7	P2	O6	HO6	57.0°	60.0°
O7	P2	O8	HO8	64.0°	180.0°
O8	P2	O6	HO6	57.6°	60.0°
HC21	C2A	HC22	HC23	109.5°	120.0°
C5	C5A	O2	HC51	125.2°	120.1°
C5	C5A	O2	HC52	125.3°	119.9°
C5	C5A	HC51	HC52	116.4°	119.9°
C5	C5A	O2	P1	162.0°	179.9°
O2	C5A	HC51	HC52	116.4°	120.0°
C5A	O2	P1	O5	19.0°	60.0°
C5A	O2	P1	O3	153.6°	180.0°
C5A	O2	P1	O4	90.4°	60.0°
HC51	C5A	O2	P1	36.8°	60.0°
HC52	C5A	O2	P1	72.7°	60.0°
O2	P1	O5	O3	134.3°	120.0°
O2	P1	O5	O4	109.1°	120.0°
O2	P1	O3	O4	112.4°	120.0°
O2	P1	O3	HO3	180.0°	180.0°
O2	P1	O4	HO4	180.0°	60.0°
O5	P1	O3	O4	113.2°	120.1°
O5	P1	O3	HO3	45.7°	60.1°
O5	P1	O4	HO4	61.8°	180.0°
O3	P1	O4	HO4	59.6°	60.0°
O4	P1	O3	HO3	67.6°	60.0°

Definition date:	2002-07-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1M0N