EKQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C12	doub	1.21Å	1.31Å
C12	C11	sing	1.51Å	1.50Å
C12	O13	sing	1.34Å	1.19Å
C11	C10	sing	1.53Å	1.52Å
O17	C15	doub	1.21Å	1.24Å
C10	C15	sing	1.51Å	1.53Å
C10	N09	sing	1.47Å	1.50Å
C15	O16	sing	1.34Å	1.25Å
N09	C08	sing	1.47Å	1.49Å
O19	C18	doub	1.21Å	1.26Å
C08	C07	sing	1.53Å	1.51Å
C18	O20	sing	1.34Å	1.24Å
C18	C05	sing	1.51Å	1.53Å
C07	N06	sing	1.47Å	1.49Å
N06	C05	sing	1.47Å	1.50Å
C05	C04	sing	1.53Å	1.52Å
C04	C02	sing	1.51Å	1.50Å
C02	O03	doub	1.21Å	1.19Å
C02	O01	sing	1.34Å	1.32Å
C10	H1	sing	1.09Å	1.10Å
O01	H2	sing	0.97Å	0.95Å
C04	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
N06	H6	sing	1.01Å	1.00Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
N09	H12	sing	1.01Å	1.00Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
O13	H16	sing	0.97Å	0.95Å
O16	H17	sing	0.97Å	0.95Å
O20	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C12	C11	113.8°	120.0°
O14	C12	O13	123.3°	119.9°
C11	C12	O13	122.9°	120.0°
C12	C11	C10	111.7°	109.5°
C12	C11	H14	108.9°	109.5°
C12	C11	H15	108.9°	109.5°
C12	O13	H16	109.5°	117.0°
C11	C10	C15	114.0°	109.5°
C11	C10	N09	109.8°	109.5°
C11	C10	H1	107.8°	109.5°
C10	C11	H14	108.9°	109.5°
C10	C11	H15	108.9°	109.4°
O17	C15	C10	118.9°	120.0°
O17	C15	O16	125.8°	120.0°
C15	C10	N09	109.3°	109.4°
C10	C15	O16	115.3°	120.0°
C15	C10	H1	107.7°	109.4°
C10	N09	C08	117.9°	111.0°
N09	C10	H1	108.0°	109.5°
C10	N09	H12	107.3°	111.0°
C15	O16	H17	109.5°	117.0°
N09	C08	C07	115.4°	109.5°
N09	C08	H10	108.0°	109.5°
N09	C08	H11	108.0°	109.5°
C08	N09	H12	107.3°	111.0°
O19	C18	O20	126.0°	119.9°
O19	C18	C05	116.0°	120.1°
C08	C07	N06	113.9°	109.5°
C08	C07	H8	108.4°	109.5°
C08	C07	H9	108.3°	109.5°
C07	C08	H10	108.0°	109.5°
C07	C08	H11	108.0°	109.4°
O20	C18	C05	118.0°	120.0°
C18	O20	H18	109.5°	117.0°
C18	C05	N06	109.0°	109.5°
C18	C05	C04	112.7°	109.5°
C18	C05	H5	107.7°	109.5°
C07	N06	C05	117.8°	111.0°
C07	N06	H6	107.3°	111.0°
N06	C07	H8	108.3°	109.4°
N06	C07	H9	108.3°	109.4°
N06	C05	C04	111.4°	109.4°
N06	C05	H5	108.0°	109.4°
C05	N06	H6	107.3°	111.0°
C05	C04	C02	111.3°	109.5°
C05	C04	H3	109.0°	109.5°
C05	C04	H4	109.0°	109.5°
C04	C05	H5	107.8°	109.5°
C04	C02	O03	123.0°	120.0°
C04	C02	O01	113.8°	120.0°
C02	C04	H3	109.0°	109.5°
C02	C04	H4	109.0°	109.5°
O03	C02	O01	123.1°	120.0°
C02	O01	H2	109.5°	117.0°
H3	C04	H4	109.5°	109.4°
H8	C07	H9	109.5°	109.5°
H10	C08	H11	109.5°	109.5°
H14	C11	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C12	C11	O13	179.5°	179.9°
O14	C12	C11	C10	179.8°	0.0°
O14	C12	C11	H14	59.5°	120.1°
O14	C12	C11	H15	59.8°	120.0°
O14	C12	O13	H16	0.0°	0.1°
C12	C11	C10	H14	120.3°	120.0°
C12	C11	C10	H15	120.4°	120.0°
C12	C11	C10	C15	160.2°	175.0°
C12	C11	C10	N09	76.7°	65.0°
C12	C11	C10	H1	40.8°	55.0°
C12	C11	H14	H15	119.0°	120.0°
C11	C12	O13	H16	179.4°	180.0°
O13	C12	C11	C10	0.7°	179.9°
O13	C12	C11	H14	121.0°	60.0°
O13	C12	C11	H15	119.7°	59.9°
C11	C10	C15	O17	60.2°	120.0°
C11	C10	C15	N09	123.3°	120.0°
C11	C10	C15	H1	119.6°	120.0°
C11	C10	N09	H1	117.4°	120.1°
C11	C10	C15	O16	119.7°	60.0°
C11	C10	N09	C08	162.6°	155.0°
C11	C10	N09	H12	41.4°	81.0°
C10	C11	H14	H15	119.0°	120.0°
O17	C15	C10	O16	179.8°	180.0°
O17	C15	C10	N09	63.1°	0.0°
O17	C15	C10	H1	179.8°	120.0°
O17	C15	O16	H17	0.0°	0.0°
C15	C10	N09	H1	116.9°	120.0°
C15	C10	N09	C08	36.9°	85.0°
C15	C10	N09	H12	84.4°	39.0°
C15	C10	C11	H14	39.9°	65.0°
C15	C10	C11	H15	79.4°	55.0°
C10	C15	O16	H17	179.9°	180.0°
N09	C10	C15	O16	117.0°	180.0°
C10	N09	C08	H12	121.2°	124.1°
C10	N09	C08	C07	155.8°	180.0°
C10	N09	C08	H10	34.9°	60.0°
C10	N09	C08	H11	83.4°	60.0°
N09	C10	C11	H14	163.0°	55.0°
N09	C10	C11	H15	43.6°	174.9°
O16	C15	C10	H1	0.1°	60.0°
N09	C08	C07	H10	120.8°	120.0°
N09	C08	C07	H11	120.9°	120.0°
N09	C08	C07	N06	58.3°	180.0°
C08	N09	C10	H1	80.0°	34.9°
N09	C08	C07	H8	179.0°	60.0°
N09	C08	C07	H9	62.4°	60.0°
N09	C08	H10	H11	117.3°	120.0°
O19	C18	O20	C05	179.6°	180.0°
O19	C18	C05	N06	16.6°	0.0°
O19	C18	C05	C04	140.8°	120.0°
O19	C18	C05	H5	100.3°	120.0°
O19	C18	O20	H18	0.0°	0.0°
C08	C07	N06	H8	120.7°	120.0°
C08	C07	N06	H9	120.7°	120.0°
C08	C07	N06	C05	168.5°	180.0°
C08	C07	N06	H6	47.3°	56.0°
C08	C07	H8	H9	118.0°	120.1°
C07	C08	H10	H11	117.3°	120.0°
C07	C08	N09	H12	83.0°	56.0°
O20	C18	C05	N06	163.0°	180.0°
O20	C18	C05	C04	38.8°	60.0°
O20	C18	C05	H5	80.0°	60.0°
C18	C05	N06	C07	78.4°	85.0°
C18	C05	N06	C04	125.0°	120.0°
C18	C05	N06	H5	116.8°	120.0°
C18	C05	C04	H5	118.8°	120.1°
C18	C05	C04	C02	89.3°	175.0°
C18	C05	C04	H3	150.4°	55.0°
C18	C05	C04	H4	31.0°	65.0°
C18	C05	N06	H6	42.8°	151.0°
C05	C18	O20	H18	179.6°	180.0°
C07	N06	C05	H6	121.2°	124.0°
C07	N06	C05	C04	46.6°	155.0°
C07	N06	C05	H5	164.9°	35.1°
N06	C07	H8	H9	118.0°	119.9°
N06	C07	C08	H10	62.5°	60.0°
N06	C07	C08	H11	179.2°	60.0°
N06	C05	C04	H5	118.4°	119.9°
N06	C05	C04	C02	147.8°	65.0°
N06	C05	C04	H3	27.6°	175.0°
N06	C05	C04	H4	91.9°	55.1°
C05	N06	C07	H8	70.8°	60.0°
C05	N06	C07	H9	47.8°	60.0°
C05	C04	C02	H3	120.3°	120.0°
C05	C04	C02	H4	120.3°	120.0°
C05	C04	C02	O03	27.6°	0.0°
C05	C04	C02	O01	152.4°	180.0°
C05	C04	H3	H4	119.1°	120.0°
C04	C05	N06	H6	167.8°	31.0°
C04	C02	O03	O01	179.9°	180.0°
C04	C02	O01	H2	180.0°	179.9°
C02	C04	H3	H4	119.2°	120.0°
C02	C04	C05	H5	29.5°	54.9°
O03	C02	O01	H2	0.0°	0.1°
O03	C02	C04	H3	92.7°	120.0°
O03	C02	C04	H4	147.8°	120.0°
O01	C02	C04	H3	87.4°	60.0°
O01	C02	C04	H4	32.1°	60.0°
H1	C10	N09	H12	158.7°	159.0°
H1	C10	C11	H14	79.6°	175.0°
H1	C10	C11	H15	161.1°	65.0°
H3	C04	C05	H5	90.8°	65.1°
H4	C04	C05	H5	149.7°	175.0°
H5	C05	N06	H6	73.9°	88.9°
H6	N06	C07	H8	168.0°	64.0°
H6	N06	C07	H9	73.4°	176.0°
H8	C07	C08	H10	58.1°	179.9°
H8	C07	C08	H11	60.2°	59.9°
H9	C07	C08	H10	176.8°	60.0°
H9	C07	C08	H11	58.5°	180.0°
H10	C08	N09	H12	156.1°	64.0°
H11	C08	N09	H12	37.8°	176.0°

Release date:	2018-05-16
Definition date:	2018-03-26
Last modified:	2018-05-11
Release status:	REL
Processing site:	RCSB
Derived from:	6G3H