OJY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.51Å	1.53Å
C11	C10	sing	1.53Å	1.53Å
C14	C17	sing	1.51Å	1.52Å
C14	N13	sing	1.37Å	1.36Å	Aromatic
C14	C15	doub	1.35Å	1.40Å	Aromatic
C10	C09	sing	1.53Å	1.53Å
C12	N13	sing	1.35Å	1.33Å	Aromatic
C12	N16	doub	1.31Å	1.34Å	Aromatic
C17	O18	sing	1.43Å	1.41Å
C15	N16	sing	1.34Å	1.34Å	Aromatic
C06	O07	doub	1.21Å	1.21Å
C06	C08	sing	1.51Å	1.53Å
C08	N19	sing	1.47Å	1.46Å
C08	C09	sing	1.53Å	1.54Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.08Å	1.08Å
C08	H17	sing	1.09Å	1.10Å
C09	H18	sing	1.09Å	1.10Å
C09	H19	sing	1.09Å	1.10Å
N13	H20	sing	0.97Å	1.00Å
O18	H22	sing	0.97Å	0.95Å
N19	H23	sing	1.01Å	1.00Å
C06	OXT	sing	1.34Å	1.44Å
OXT	HXT	sing	0.97Å	0.95Å
N19	H8	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	116.4°	109.4°
C11	C12	N13	124.9°	125.6°
C11	C12	N16	124.9°	125.7°
C12	C11	H1	107.7°	109.5°
C12	C11	H2	107.7°	109.4°
C11	C10	C09	110.2°	109.4°
C10	C11	H1	107.7°	109.5°
C10	C11	H2	107.7°	109.5°
C11	C10	H3	109.3°	109.5°
C11	C10	H4	109.3°	109.5°
C17	C14	N13	125.6°	126.6°
C17	C14	C15	128.3°	126.6°
C14	C17	O18	111.3°	109.5°
C14	C17	H5	109.0°	109.5°
C14	C17	H6	109.0°	109.5°
N13	C14	C15	106.1°	106.8°
C14	N13	C12	108.4°	107.2°
C14	N13	H20	125.8°	126.4°
C14	C15	N16	107.8°	108.0°
C14	C15	H7	126.1°	126.0°
C10	C09	C08	112.3°	109.4°
C09	C10	H3	109.3°	109.5°
C09	C10	H4	109.3°	109.5°
C10	C09	H18	108.8°	109.5°
C10	C09	H19	108.8°	109.5°
N13	C12	N16	110.1°	108.7°
C12	N13	H20	125.8°	126.4°
C12	N16	C15	107.5°	109.2°
O18	C17	H5	109.0°	109.5°
O18	C17	H6	109.0°	109.4°
C17	O18	H22	109.5°	114.0°
N16	C15	H7	126.1°	126.0°
O07	C06	C08	118.0°	120.0°
O07	C06	OXT	121.9°	120.0°
C06	C08	N19	112.3°	109.5°
C06	C08	C09	109.8°	109.4°
C06	C08	H17	108.9°	109.4°
C08	C06	OXT	120.1°	120.0°
N19	C08	C09	107.2°	109.5°
N19	C08	H17	109.8°	109.5°
C08	N19	H23	109.5°	111.0°
C08	N19	H8	109.5°	111.0°
C09	C08	H17	108.8°	109.5°
C08	C09	H18	108.7°	109.4°
C08	C09	H19	108.8°	109.4°
H1	C11	H2	109.5°	109.5°
H3	C10	H4	109.4°	109.5°
H5	C17	H6	109.5°	109.5°
H18	C09	H19	109.5°	109.5°
H23	N19	H8	109.5°	111.0°
C06	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	H1	121.0°	120.0°
C12	C11	C10	H2	121.0°	119.9°
C11	C12	N13	C14	177.5°	180.0°
C12	C11	C10	C09	78.9°	180.0°
C11	C12	N13	N16	177.3°	179.8°
C11	C12	N16	C15	178.4°	179.8°
C12	C11	H1	H2	116.8°	120.0°
C12	C11	C10	H3	41.2°	60.0°
C12	C11	C10	H4	161.0°	60.0°
C11	C12	N13	H20	2.5°	0.0°
C11	C10	C09	H3	120.1°	120.0°
C11	C10	C09	H4	120.1°	120.0°
C10	C11	C12	N13	78.9°	125.0°
C10	C11	C12	N16	104.2°	55.2°
C11	C10	C09	C08	177.7°	180.0°
C10	C11	H1	H2	116.9°	120.0°
C11	C10	H3	H4	119.7°	120.0°
C11	C10	C09	H18	57.3°	60.1°
C11	C10	C09	H19	61.9°	60.0°
C17	C14	N13	C15	177.8°	179.7°
C17	C14	N13	C12	177.0°	180.0°
C14	C17	O18	H5	120.3°	120.0°
C14	C17	O18	H6	120.3°	120.0°
C17	C14	C15	N16	176.3°	180.0°
C14	C17	H5	H6	119.2°	120.1°
C17	C14	C15	H7	3.7°	0.1°
C17	C14	N13	H20	3.0°	0.0°
C14	C17	O18	H22	180.0°	179.9°
C14	N13	C12	H20	180.0°	180.0°
C14	N13	C12	N16	0.2°	0.2°
N13	C14	C17	O18	175.6°	179.9°
N13	C14	C15	N16	1.5°	0.3°
N13	C14	C17	H5	64.2°	60.1°
N13	C14	C17	H6	55.3°	60.0°
N13	C14	C15	H7	178.6°	179.8°
C15	C14	N13	C12	0.8°	0.3°
C14	C15	N16	C12	1.6°	0.1°
C15	C14	C17	O18	7.1°	0.3°
C14	C15	N16	H7	180.0°	180.0°
C15	C14	C17	H5	113.2°	120.3°
C15	C14	C17	H6	127.4°	119.7°
C15	C14	N13	H20	179.2°	179.7°
C10	C09	C08	C06	48.9°	175.0°
C10	C09	C08	N19	171.2°	65.0°
C10	C09	C08	H18	120.4°	120.0°
C10	C09	C08	H19	120.4°	120.0°
C09	C10	C11	H1	160.1°	60.0°
C09	C10	C11	H2	42.1°	60.1°
C09	C10	H3	H4	119.6°	120.0°
C10	C09	C08	H17	70.2°	55.0°
C10	C09	H18	H19	118.8°	120.1°
N13	C12	N16	C15	1.1°	0.0°
N13	C12	C11	H1	42.1°	5.0°
N13	C12	C11	H2	160.1°	115.0°
N16	C12	C11	H1	134.8°	175.2°
N16	C12	C11	H2	16.8°	64.7°
C12	N16	C15	H7	178.4°	179.9°
N16	C12	N13	H20	179.8°	179.8°
O18	C17	H5	H6	119.1°	119.9°
O07	C06	C08	OXT	179.7°	179.9°
O07	C06	C08	N19	153.6°	19.9°
O07	C06	C08	C09	87.2°	100.1°
O07	C06	C08	H17	31.8°	140.0°
O07	C06	OXT	HXT	0.0°	0.1°
C06	C08	N19	C09	120.7°	120.0°
C06	C08	N19	H17	121.3°	120.0°
C06	C08	C09	H17	119.1°	119.9°
C06	C08	C09	H18	71.5°	55.0°
C06	C08	C09	H19	169.4°	65.0°
C06	C08	N19	H23	180.0°	60.0°
C08	C06	OXT	HXT	179.7°	180.0°
C06	C08	N19	H8	60.0°	176.0°
N19	C08	C09	H17	118.7°	120.1°
N19	C08	C09	H18	50.7°	175.0°
N19	C08	C09	H19	68.4°	55.0°
C08	N19	H23	H8	120.0°	124.0°
N19	C08	C06	OXT	26.7°	160.0°
C08	C09	C10	H3	62.2°	60.0°
C08	C09	C10	H4	57.6°	60.0°
C08	C09	H18	H19	118.7°	120.0°
C09	C08	N19	H23	59.3°	60.0°
C09	C08	C06	OXT	92.5°	80.0°
C09	C08	N19	H8	179.3°	64.0°
H1	C11	C10	H3	79.8°	60.0°
H1	C11	C10	H4	40.0°	180.0°
H2	C11	C10	H3	162.3°	179.9°
H2	C11	C10	H4	78.0°	59.9°
H3	C10	C09	H18	177.4°	179.9°
H3	C10	C09	H19	58.3°	60.0°
H4	C10	C09	H18	62.8°	59.9°
H4	C10	C09	H19	178.0°	180.0°
H5	C17	O18	H22	59.7°	59.9°
H6	C17	O18	H22	59.7°	60.0°
H17	C08	C09	H18	169.4°	64.9°
H17	C08	C09	H19	50.3°	175.1°
H17	C08	N19	H23	58.7°	180.0°
H17	C08	C06	OXT	148.5°	39.9°
H17	C08	N19	H8	61.3°	56.1°

Release date:	2019-12-11
Definition date:	2019-06-26
Last modified:	2019-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	6PGD