KHP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	sing	1.43Å	1.28Å
O5	HO5	sing	0.97Å	0.95Å
C5	C4	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C4	O4	sing	1.44Å	1.43Å
C4	C3	sing	1.55Å	1.53Å
C4	H4	sing	1.09Å	1.11Å
O4	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.54Å	1.52Å
C1	O1	sing	1.43Å	1.45Å
C1	H1	sing	1.09Å	1.12Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.55Å	1.51Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.40Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
O1	C1'	sing	1.36Å	1.44Å
C1'	C2'	doub	1.39Å	1.35Å	Aromatic
C1'	C6'	sing	1.39Å	1.34Å	Aromatic
C2'	C3'	sing	1.38Å	1.34Å	Aromatic
C2'	H2'	sing	1.08Å	1.10Å
C3'	C4'	doub	1.38Å	1.34Å	Aromatic
C3'	H3'	sing	1.08Å	1.10Å
C4'	N1'	sing	1.48Å	1.34Å
C4'	C5'	sing	1.38Å	1.35Å	Aromatic
N1'	O3'	sing	1.22Å	1.23Å
N1'	O2'	doub	1.22Å	1.23Å
C5'	C6'	doub	1.38Å	1.35Å	Aromatic
C5'	H5'	sing	1.08Å	1.10Å
C6'	H6'	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O5	HO5	118.7°	106.8°
O5	C5	C4	118.7°	109.5°
O5	C5	H51	108.9°	109.5°
O5	C5	H52	108.9°	109.5°
C4	C5	H51	108.9°	109.5°
C4	C5	H52	108.9°	109.5°
C5	C4	O4	107.7°	110.3°
C5	C4	C3	114.7°	110.3°
C5	C4	H4	105.8°	110.3°
H51	C5	H52	101.1°	109.4°
O4	C4	C3	104.9°	105.2°
O4	C4	H4	115.4°	110.3°
C4	O4	C1	106.4°	110.0°
C3	C4	H4	108.5°	110.3°
C4	C3	C2	101.2°	100.9°
C4	C3	O3	114.5°	111.3°
C4	C3	H3	112.0°	111.0°
O4	C1	C2	106.5°	107.5°
O4	C1	O1	111.6°	109.8°
O4	C1	H1	108.7°	109.8°
C2	C1	O1	105.2°	109.9°
C2	C1	H1	114.8°	109.8°
C1	C2	O2	114.2°	110.9°
C1	C2	C3	105.9°	102.3°
C1	C2	H2	111.2°	110.9°
O1	C1	H1	110.0°	109.9°
C1	O1	C1'	117.3°	106.8°
O2	C2	C3	115.7°	111.1°
O2	C2	H2	100.2°	110.7°
C2	O2	HO2	114.3°	106.8°
C3	C2	H2	109.6°	110.7°
C2	C3	O3	110.2°	111.1°
C2	C3	H3	116.2°	111.1°
O3	C3	H3	103.3°	111.0°
C3	O3	HO3	114.5°	106.8°
O1	C1'	C2'	116.1°	120.0°
O1	C1'	C6'	124.1°	120.1°
C2'	C1'	C6'	119.8°	119.9°
C1'	C2'	C3'	119.9°	120.0°
C1'	C2'	H2'	120.1°	120.1°
C1'	C6'	C5'	120.3°	119.9°
C1'	C6'	H6'	119.6°	120.0°
C3'	C2'	H2'	119.9°	120.0°
C2'	C3'	C4'	120.4°	120.0°
C2'	C3'	H3'	119.9°	120.0°
C4'	C3'	H3'	119.8°	120.0°
C3'	C4'	N1'	119.5°	119.9°
C3'	C4'	C5'	119.8°	120.1°
N1'	C4'	C5'	120.7°	120.0°
C4'	N1'	O3'	120.7°	120.0°
C4'	N1'	O2'	119.9°	120.0°
C4'	C5'	C6'	119.8°	120.1°
C4'	C5'	H5'	120.0°	119.9°
O3'	N1'	O2'	119.4°	120.0°
C6'	C5'	H5'	120.2°	120.0°
C5'	C6'	H6'	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C4	H51	125.3°	120.0°
O5	C5	C4	H52	125.3°	120.0°
O5	C5	H51	H52	114.6°	120.0°
O5	C5	C4	O4	65.9°	67.8°
O5	C5	C4	C3	50.5°	176.4°
O5	C5	C4	H4	170.1°	54.3°
HO5	O5	C5	C4	180.0°	180.0°
HO5	O5	C5	H51	54.7°	60.0°
HO5	O5	C5	H52	54.7°	60.0°
C4	C5	H51	H52	114.6°	120.0°
C5	C4	O4	C3	122.7°	119.0°
C5	C4	O4	H4	117.9°	122.1°
C5	C4	C3	H4	118.1°	122.1°
C5	C4	O4	C1	162.1°	143.3°
C5	C4	C3	C2	153.9°	155.3°
C5	C4	C3	O3	87.7°	86.7°
C5	C4	C3	H3	29.5°	37.4°
H51	C5	C4	O4	168.8°	172.2°
H51	C5	C4	C3	74.8°	56.4°
H51	C5	C4	H4	44.8°	65.7°
H52	C5	C4	O4	59.4°	52.3°
H52	C5	C4	C3	175.8°	63.6°
H52	C5	C4	H4	64.6°	174.3°
O4	C4	C3	H4	123.9°	118.9°
C4	O4	C1	C2	26.0°	1.7°
C4	O4	C1	O1	88.3°	117.9°
C4	O4	C1	H1	150.2°	121.2°
O4	C4	C3	C2	35.9°	36.3°
O4	C4	C3	O3	154.3°	154.3°
O4	C4	C3	H3	88.5°	81.6°
C3	C4	O4	C1	39.4°	24.3°
C4	C3	C2	C1	19.7°	34.0°
C4	C3	C2	O2	147.3°	152.3°
C4	C3	C2	O3	121.5°	118.1°
C4	C3	C2	H3	121.5°	117.8°
C4	C3	C2	H2	100.3°	84.2°
C4	C3	O3	H3	122.0°	124.2°
C4	C3	O3	HO3	180.0°	173.1°
H4	C4	O4	C1	80.0°	94.6°
H4	C4	C3	C2	88.0°	82.6°
H4	C4	C3	O3	30.4°	35.4°
H4	C4	C3	H3	147.6°	159.5°
O4	C1	C2	O1	118.6°	119.5°
O4	C1	C2	H1	120.4°	119.5°
O4	C1	O1	H1	120.8°	120.9°
O4	C1	C2	O2	125.9°	139.8°
O4	C1	C2	C3	2.6°	21.3°
O4	C1	C2	H2	121.6°	96.8°
O4	C1	O1	C1'	72.0°	66.5°
C2	C1	O1	H1	124.1°	121.0°
C1	C2	O2	C3	123.4°	113.1°
C1	C2	O2	H2	119.0°	123.5°
C1	C2	C3	H2	120.0°	118.2°
C1	C2	O2	HO2	180.0°	61.4°
C1	C2	C3	O3	141.2°	152.1°
C1	C2	C3	H3	101.8°	83.8°
C2	C1	O1	C1'	172.8°	175.4°
O1	C1	C2	O2	115.5°	100.7°
O1	C1	C2	C3	115.9°	140.8°
O1	C1	C2	H2	3.0°	22.7°
C1	O1	C1'	C2'	140.4°	180.0°
C1	O1	C1'	C6'	38.8°	0.2°
H1	C1	C2	O2	5.5°	20.3°
H1	C1	C2	C3	123.0°	98.2°
H1	C1	C2	H2	118.1°	143.7°
H1	C1	O1	C1'	48.7°	54.4°
O2	C2	C3	H2	112.4°	123.5°
O2	C2	C3	O3	91.2°	89.5°
O2	C2	C3	H3	25.9°	34.6°
C3	C2	O2	HO2	56.7°	174.5°
C2	C3	O3	H3	124.8°	124.2°
C2	C3	O3	HO3	66.8°	61.5°
H2	C2	O2	HO2	61.0°	62.1°
H2	C2	C3	O3	21.2°	33.9°
H2	C2	C3	H3	138.2°	158.0°
H3	C3	O3	HO3	58.0°	62.7°
O1	C1'	C2'	C6'	179.3°	179.8°
O1	C1'	C2'	C3'	179.6°	180.0°
O1	C1'	C2'	H2'	0.4°	0.0°
O1	C1'	C6'	C5'	179.8°	179.7°
O1	C1'	C6'	H6'	0.2°	0.2°
C1'	C2'	C3'	H2'	180.0°	180.0°
C1'	C2'	C3'	C4'	0.1°	0.0°
C1'	C2'	C3'	H3'	180.0°	180.0°
C2'	C1'	C6'	C5'	0.6°	0.5°
C2'	C1'	C6'	H6'	179.4°	180.0°
C6'	C1'	C2'	C3'	0.3°	0.2°
C6'	C1'	C2'	H2'	179.7°	179.8°
C1'	C6'	C5'	C4'	0.4°	0.5°
C1'	C6'	C5'	H6'	180.0°	179.5°
C1'	C6'	C5'	H5'	179.6°	179.8°
C2'	C3'	C4'	H3'	180.0°	180.0°
C2'	C3'	C4'	N1'	179.7°	179.9°
C2'	C3'	C4'	C5'	0.2°	0.0°
H2'	C2'	C3'	C4'	179.9°	180.0°
H2'	C2'	C3'	H3'	0.0°	0.1°
C3'	C4'	N1'	C5'	180.0°	179.9°
C3'	C4'	N1'	O3'	179.8°	0.1°
C3'	C4'	N1'	O2'	0.3°	180.0°
C3'	C4'	C5'	C6'	0.0°	0.3°
C3'	C4'	C5'	H5'	180.0°	180.0°
H3'	C3'	C4'	N1'	0.3°	0.1°
H3'	C3'	C4'	C5'	179.8°	180.0°
C4'	N1'	O3'	O2'	179.6°	179.9°
N1'	C4'	C5'	C6'	179.9°	179.8°
N1'	C4'	C5'	H5'	0.1°	0.1°
C5'	C4'	N1'	O3'	0.2°	180.0°
C5'	C4'	N1'	O2'	179.8°	0.1°
C4'	C5'	C6'	H5'	180.0°	179.7°
C4'	C5'	C6'	H6'	179.6°	180.0°
H5'	C5'	C6'	H6'	0.4°	0.3°

Definition date:	2003-09-12
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1QW9