PAV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.43Å
O2	HO2	sing	0.97Å	0.95Å
C2	C1	sing	1.53Å	1.53Å
C2	O5	sing	1.44Å	1.41Å
C2	C3	sing	1.54Å	1.51Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C1	H113	sing	1.09Å	1.12Å
O5	C5	sing	1.44Å	1.44Å
C5	C4	sing	1.55Å	1.53Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C4	O4	sing	1.43Å	1.42Å
C4	C3	sing	1.55Å	1.51Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	O13	sing	1.43Å	1.42Å
O3	HO3	sing	0.97Å	0.95Å
O13	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O2	HO2	104.7°	106.8°
O2	C2	C1	104.6°	109.8°
O2	C2	O5	115.2°	109.9°
O2	C2	C3	116.8°	109.8°
C1	C2	O5	104.0°	109.9°
C1	C2	C3	108.3°	110.0°
C2	C1	H11	104.6°	109.5°
C2	C1	H12	114.0°	109.4°
C2	C1	H113	114.0°	109.4°
O5	C2	C3	107.0°	107.4°
C2	O5	C5	111.8°	107.0°
C2	C3	C4	106.8°	104.0°
C2	C3	O3	103.0°	110.4°
C2	C3	O13	116.9°	110.7°
H11	C1	H12	114.1°	109.5°
H11	C1	H113	114.1°	109.5°
H12	C1	H113	96.5°	109.5°
O5	C5	C4	107.2°	103.4°
O5	C5	H51	113.0°	110.6°
O5	C5	H52	113.1°	110.6°
C4	C5	H51	113.0°	110.6°
C4	C5	H52	113.1°	110.6°
C5	C4	O4	115.2°	110.9°
C5	C4	C3	104.8°	102.1°
C5	C4	H4	111.3°	110.9°
H51	C5	H52	97.4°	110.7°
O4	C4	C3	115.7°	110.9°
O4	C4	H4	99.2°	110.7°
C4	O4	HO4	115.3°	106.8°
C3	C4	H4	110.8°	111.1°
C4	C3	O3	103.1°	110.5°
C4	C3	O13	116.7°	110.5°
O3	C3	O13	108.7°	110.5°
C3	O3	HO3	103.0°	106.8°
C3	O13	H13	116.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	O5	121.2°	121.0°
O2	C2	C1	C3	125.2°	121.0°
O2	C2	O5	C3	131.7°	119.5°
O2	C2	C1	H11	180.0°	59.3°
O2	C2	C1	H12	54.7°	60.8°
O2	C2	C1	H113	54.7°	179.3°
O2	C2	O5	C5	143.8°	93.0°
O2	C2	C3	C4	146.9°	117.6°
O2	C2	C3	O3	38.8°	123.9°
O2	C2	C3	O13	80.3°	1.1°
HO2	O2	C2	C1	180.0°	59.2°
HO2	O2	C2	O5	66.5°	61.7°
HO2	O2	C2	C3	60.3°	179.7°
C1	C2	O5	C3	114.4°	119.6°
C2	C1	H11	H12	125.2°	120.0°
C2	C1	H11	H113	125.2°	120.0°
C2	C1	H12	H113	119.9°	119.9°
C1	C2	O5	C5	102.3°	146.0°
C1	C2	C3	C4	95.4°	121.4°
C1	C2	C3	O3	156.5°	2.9°
C1	C2	C3	O13	37.4°	119.9°
O5	C2	C1	H11	58.8°	61.7°
O5	C2	C1	H12	66.5°	178.3°
O5	C2	C1	H113	176.0°	58.3°
C2	O5	C5	C4	3.3°	40.1°
C2	O5	C5	H51	128.5°	78.4°
C2	O5	C5	H52	122.0°	158.5°
O5	C2	C3	C4	16.2°	1.8°
O5	C2	C3	O3	92.0°	116.7°
O5	C2	C3	O13	148.9°	120.6°
C3	C2	C1	H11	54.8°	179.7°
C3	C2	C1	H12	180.0°	60.2°
C3	C2	C1	H113	70.5°	59.7°
C3	C2	O5	C5	12.2°	26.4°
C2	C3	C4	C5	13.9°	21.1°
C2	C3	C4	O4	141.9°	139.2°
C2	C3	C4	O3	108.1°	118.5°
C2	C3	C4	O13	132.9°	118.9°
C2	C3	C4	H4	106.3°	97.2°
C2	C3	O3	O13	124.6°	122.8°
C2	C3	O3	HO3	180.0°	176.0°
C2	C3	O13	H13	180.0°	176.2°
H11	C1	H12	H113	120.0°	120.0°
O5	C5	C4	H51	125.2°	118.5°
O5	C5	C4	H52	125.3°	118.5°
O5	C5	H51	H52	119.0°	123.0°
O5	C5	C4	O4	135.2°	155.3°
O5	C5	C4	C3	6.9°	37.2°
O5	C5	C4	H4	112.9°	81.2°
C4	C5	H51	H52	119.0°	123.0°
C5	C4	O4	C3	122.6°	112.7°
C5	C4	O4	H4	118.9°	123.6°
C5	C4	C3	H4	120.1°	118.3°
C5	C4	O4	HO4	180.0°	61.4°
C5	C4	C3	O3	94.2°	139.6°
C5	C4	C3	O13	146.7°	97.8°
H51	C5	C4	O4	9.9°	36.8°
H51	C5	C4	C3	118.4°	81.4°
H51	C5	C4	H4	121.8°	160.3°
H52	C5	C4	O4	99.5°	86.2°
H52	C5	C4	C3	132.2°	155.6°
H52	C5	C4	H4	12.4°	37.3°
O4	C4	C3	H4	111.9°	123.6°
O4	C4	C3	O3	33.8°	102.3°
O4	C4	C3	O13	85.3°	20.3°
C3	C4	O4	HO4	57.4°	174.1°
C4	C3	O3	O13	124.4°	122.6°
C4	C3	O3	HO3	69.0°	61.5°
C4	C3	O13	H13	51.8°	61.4°
H4	C4	O4	HO4	61.1°	62.2°
H4	C4	C3	O3	145.6°	21.3°
H4	C4	C3	O13	26.6°	143.9°
O3	C3	O13	H13	64.1°	61.2°
O13	C3	O3	HO3	55.5°	61.1°

Definition date:	2004-06-16
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1TJY