KDE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	C1	doub	1.21Å	1.30Å
C1	O1B	sing	1.34Å	1.36Å
C1	C2	sing	1.51Å	1.56Å
C2	O2	sing	1.43Å	1.54Å
C2	C3	sing	1.53Å	1.49Å
C2	O6	sing	1.43Å	1.37Å
O2	C9	sing	1.43Å	1.60Å
C9	C10	sing	1.51Å	1.43Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	C11	doub	1.31Å	1.38Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C11	H11A	sing	1.08Å	1.08Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.49Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.53Å
C5	C6	sing	1.53Å	1.59Å
C5	H5	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C6	O6	sing	1.43Å	1.57Å
C6	C7	sing	1.53Å	1.62Å
C6	H6	sing	1.09Å	1.10Å
C7	O7	sing	1.43Å	1.48Å
C7	C8	sing	1.53Å	1.60Å
C7	H7	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
C8	O8	sing	1.43Å	1.41Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
O1B	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	C1	O1B	125.9°	120.0°
O1A	C1	C2	120.9°	120.1°
O1B	C1	C2	113.1°	120.0°
C1	O1B	H18	109.5°	116.9°
C1	C2	O2	122.3°	109.5°
C1	C2	C3	104.8°	109.5°
C1	C2	O6	104.1°	109.5°
O2	C2	C3	102.3°	109.5°
O2	C2	O6	105.8°	109.4°
C2	O2	C9	114.3°	114.0°
C3	C2	O6	118.8°	109.4°
C2	C3	C4	105.6°	109.2°
C2	C3	H3	110.8°	109.5°
C2	C3	H3A	111.6°	109.5°
C2	O6	C6	123.8°	114.1°
O2	C9	C10	123.8°	109.4°
O2	C9	H9	105.0°	109.5°
O2	C9	H9A	101.6°	109.5°
C10	C9	H9	105.0°	109.4°
C10	C9	H9A	101.6°	109.5°
C9	C10	C11	112.8°	120.0°
C9	C10	H10	123.6°	120.0°
H9	C9	H9A	121.6°	109.5°
C11	C10	H10	123.6°	120.0°
C10	C11	H11	107.6°	120.0°
C10	C11	H11A	126.2°	120.0°
H11	C11	H11A	126.2°	120.0°
C4	C3	H3	110.7°	109.6°
C4	C3	H3A	111.6°	109.5°
C3	C4	O4	107.2°	109.5°
C3	C4	C5	119.9°	109.0°
C3	C4	H4	105.6°	109.5°
H3	C3	H3A	106.5°	109.6°
O4	C4	C5	114.5°	109.6°
O4	C4	H4	112.3°	109.5°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	96.5°	109.7°
C4	C5	O5	121.1°	109.5°
C4	C5	C6	106.6°	109.2°
C4	C5	H5	104.9°	109.5°
O5	C5	C6	113.7°	109.5°
O5	C5	H5	96.1°	109.5°
C5	O5	HO5	109.5°	113.9°
C6	C5	H5	113.9°	109.6°
C5	C6	O6	100.6°	109.4°
C5	C6	C7	121.9°	109.5°
C5	C6	H6	108.5°	109.5°
O6	C6	C7	112.0°	109.5°
O6	C6	H6	119.0°	109.5°
C7	C6	H6	96.1°	109.5°
C6	C7	O7	114.3°	109.5°
C6	C7	C8	131.6°	109.5°
C6	C7	H7	81.8°	109.4°
O7	C7	C8	106.5°	109.5°
O7	C7	H7	125.1°	109.5°
C7	O7	HO7	109.5°	114.0°
C8	C7	H7	95.6°	109.5°
C7	C8	O8	94.8°	109.4°
C7	C8	H8	114.7°	109.5°
C7	C8	H8A	117.6°	109.5°
O8	C8	H8	114.7°	109.4°
O8	C8	H8A	117.5°	109.5°
C8	O8	HO8	109.5°	114.0°
H8	C8	H8A	98.8°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	C1	O1B	C2	179.3°	179.7°
O1A	C1	C2	O2	132.7°	2.5°
O1A	C1	C2	C3	112.0°	122.6°
O1A	C1	C2	O6	13.4°	117.4°
O1A	C1	O1B	H18	0.0°	0.0°
O1B	C1	C2	O2	48.0°	177.8°
O1B	C1	C2	C3	67.3°	57.7°
O1B	C1	C2	O6	167.3°	62.3°
C1	C2	O2	C3	116.5°	120.1°
C1	C2	O2	O6	118.5°	120.0°
C1	C2	C3	O6	115.6°	120.0°
C1	C2	O2	C9	43.4°	66.2°
C1	C2	C3	C4	151.2°	177.6°
C1	C2	C3	H3	88.8°	62.5°
C1	C2	C3	H3A	29.8°	57.7°
C1	C2	O6	C6	164.0°	178.8°
C2	C1	O1B	H18	179.2°	179.7°
O2	C2	C3	O6	115.9°	120.0°
C2	O2	C9	C10	124.8°	174.6°
C2	O2	C9	H9	115.2°	54.7°
C2	O2	C9	H9A	12.3°	65.4°
O2	C2	C3	C4	80.3°	62.4°
O2	C2	C3	H3	39.7°	57.6°
O2	C2	C3	H3A	158.2°	177.7°
O2	C2	O6	C6	66.0°	58.9°
C3	C2	O2	C9	159.9°	173.7°
C2	C3	C4	H3	120.0°	119.9°
C2	C3	C4	H3A	121.5°	119.9°
C2	C3	H3	H3A	121.6°	120.1°
C2	C3	C4	O4	179.6°	176.8°
C2	C3	C4	C5	46.8°	57.0°
C2	C3	C4	H4	60.4°	63.0°
C3	C2	O6	C6	48.0°	61.1°
O6	C2	O2	C9	75.1°	53.7°
O6	C2	C3	C4	35.6°	57.6°
O6	C2	C3	H3	155.6°	177.5°
O6	C2	C3	H3A	85.8°	62.3°
C2	O6	C6	C5	55.6°	61.1°
C2	O6	C6	C7	173.4°	178.9°
C2	O6	C6	H6	62.6°	58.8°
O2	C9	C10	H9	120.0°	119.9°
O2	C9	C10	H9A	112.6°	120.1°
O2	C9	H9	H9A	114.1°	120.1°
O2	C9	C10	C11	179.2°	135.0°
O2	C9	C10	H10	0.8°	45.0°
C10	C9	H9	H9A	114.1°	120.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	H11	180.0°	0.1°
C9	C10	C11	H11A	0.0°	180.0°
H9	C9	C10	C11	59.2°	15.1°
H9	C9	C10	H10	120.8°	165.0°
H9A	C9	C10	C11	68.2°	104.9°
H9A	C9	C10	H10	111.8°	75.0°
C10	C11	H11	H11A	180.0°	179.9°
H10	C10	C11	H11	0.0°	180.0°
H10	C10	C11	H11A	180.0°	0.0°
C4	C3	H3	H3A	121.5°	120.2°
C3	C4	O4	C5	135.7°	119.6°
C3	C4	O4	H4	115.6°	120.1°
C3	C4	C5	H4	112.2°	119.9°
C3	C4	O4	HO4	63.1°	60.0°
C3	C4	C5	O5	70.0°	62.9°
C3	C4	C5	C6	62.0°	57.0°
C3	C4	C5	H5	176.8°	177.0°
H3	C3	C4	O4	60.4°	63.2°
H3	C3	C4	C5	166.8°	176.9°
H3	C3	C4	H4	59.6°	56.9°
H3A	C3	C4	O4	58.1°	57.0°
H3A	C3	C4	C5	74.7°	62.9°
H3A	C3	C4	H4	178.1°	177.1°
O4	C4	C5	H4	118.2°	120.3°
O4	C4	C5	O5	59.6°	56.9°
O4	C4	C5	C6	168.4°	176.8°
O4	C4	C5	H5	47.2°	63.2°
C5	C4	O4	HO4	72.5°	179.6°
C4	C5	O5	C6	129.0°	119.7°
C4	C5	O5	H5	111.5°	120.1°
C4	C5	C6	H5	115.3°	119.9°
C4	C5	O5	HO5	109.0°	60.0°
C4	C5	C6	O6	55.0°	57.6°
C4	C5	C6	C7	179.5°	177.6°
C4	C5	C6	H6	70.7°	62.3°
H4	C4	O4	HO4	178.7°	60.1°
H4	C4	C5	O5	177.8°	177.2°
H4	C4	C5	C6	50.2°	62.9°
H4	C4	C5	H5	71.0°	57.1°
O5	C5	C6	H5	108.8°	120.2°
O5	C5	C6	O6	81.0°	62.3°
O5	C5	C6	C7	43.5°	57.7°
O5	C5	C6	H6	153.4°	177.8°
C6	C5	O5	HO5	19.9°	179.7°
C5	C6	O6	C7	131.0°	120.0°
C5	C6	O6	H6	118.2°	120.0°
C5	C6	C7	H6	116.2°	120.1°
C5	C6	C7	O7	153.4°	55.0°
C5	C6	C7	C8	61.6°	175.0°
C5	C6	C7	H7	28.5°	65.0°
H5	C5	O5	HO5	139.5°	60.1°
H5	C5	C6	O6	170.2°	177.5°
H5	C5	C6	C7	65.3°	62.5°
H5	C5	C6	H6	44.6°	57.6°
O6	C6	C7	H6	124.7°	120.0°
O6	C6	C7	O7	34.3°	64.9°
O6	C6	C7	C8	179.3°	55.1°
O6	C6	C7	H7	90.6°	175.1°
C6	C7	O7	C8	153.4°	120.0°
C6	C7	O7	H7	97.2°	120.0°
C6	C7	C8	H7	84.0°	120.0°
C6	C7	O7	HO7	82.2°	60.0°
C6	C7	C8	O8	19.0°	175.0°
C6	C7	C8	H8	101.0°	65.1°
C6	C7	C8	H8A	143.5°	55.0°
H6	C6	C7	O7	90.4°	175.1°
H6	C6	C7	C8	54.6°	64.9°
H6	C6	C7	H7	144.7°	55.1°
O7	C7	C8	H7	129.1°	120.0°
O7	C7	C8	O8	127.9°	65.0°
O7	C7	C8	H8	112.1°	54.9°
O7	C7	C8	H8A	3.3°	175.0°
C8	C7	O7	HO7	71.2°	60.0°
C7	C8	O8	H8	120.0°	119.9°
C7	C8	O8	H8A	124.6°	120.0°
C7	C8	H8	H8A	125.9°	120.1°
C7	C8	O8	HO8	87.6°	180.0°
H7	C7	O7	HO7	179.4°	180.0°
H7	C7	C8	O8	103.0°	55.0°
H7	C7	C8	H8	17.0°	175.0°
H7	C7	C8	H8A	132.5°	64.9°
O8	C8	H8	H8A	125.9°	120.0°
H8	C8	O8	HO8	32.4°	60.0°
H8A	C8	O8	HO8	147.8°	60.0°

Definition date:	2008-01-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2R2E