P8E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.47Å
N5	C5	sing	1.47Å	1.49Å
O1A	C1	doub	1.21Å	1.26Å
C4	C5	sing	1.53Å	1.50Å
C4	C3	sing	1.53Å	1.47Å
C1	O1B	sing	1.34Å	1.26Å
C1	C2	sing	1.51Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.52Å
C2	O6	sing	1.43Å	1.50Å
C6	O6	sing	1.43Å	1.45Å
C6	C7	sing	1.53Å	1.51Å
N7	C7	sing	1.47Å	1.45Å
C7	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.52Å
C8	O8	sing	1.43Å	1.40Å
C2	O2	sing	1.43Å	1.42Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
N5	HN51	sing	1.01Å	1.00Å
N5	HN52	sing	1.01Å	1.00Å
N7	HN72	sing	1.01Å	1.00Å
N7	HN71	sing	1.01Å	1.00Å
O1B	HO1B	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O8	HO8	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C5	108.6°	109.5°
O4	C4	C3	109.2°	109.5°
O4	C4	H4	108.4°	109.6°
C4	O4	HO4	109.5°	114.0°
N5	C5	C4	108.6°	109.5°
N5	C5	C6	108.9°	109.5°
N5	C5	H5	109.0°	109.5°
C5	N5	HN51	109.5°	111.0°
C5	N5	HN52	109.5°	111.0°
O1A	C1	O1B	120.0°	120.0°
O1A	C1	C2	119.4°	120.0°
C5	C4	C3	114.1°	109.1°
C4	C5	C6	112.8°	109.2°
C4	C5	H5	108.9°	109.6°
C5	C4	H4	108.0°	109.5°
C4	C3	C2	113.7°	109.2°
C3	C4	H4	108.4°	109.6°
C4	C3	H32	108.4°	109.5°
C4	C3	H31	108.4°	109.5°
O1B	C1	C2	120.6°	120.0°
C1	O1B	HO1B	109.5°	117.0°
C1	C2	C3	108.2°	109.5°
C1	C2	O6	108.7°	109.5°
C1	C2	O2	70.3°	109.5°
C5	C6	O6	111.8°	109.4°
C5	C6	C7	109.5°	109.5°
C5	C6	H6	108.7°	109.5°
C6	C5	H5	108.6°	109.5°
C3	C2	O6	113.7°	109.4°
C3	C2	O2	127.5°	109.5°
C2	C3	H32	108.4°	109.5°
C2	C3	H31	108.4°	109.5°
C2	O6	C6	112.8°	114.2°
O6	C2	O2	116.0°	109.4°
O6	C6	C7	108.2°	109.5°
O6	C6	H6	109.6°	109.5°
C6	C7	N7	109.6°	109.5°
C6	C7	C8	108.4°	109.5°
C6	C7	H7	109.6°	109.4°
C7	C6	H6	108.9°	109.5°
N7	C7	C8	109.3°	109.5°
N7	C7	H7	110.4°	109.5°
C7	N7	HN72	109.5°	111.0°
C7	N7	HN71	109.5°	111.0°
C7	C8	C9	109.7°	109.5°
C7	C8	O8	109.1°	109.5°
C7	C8	H8	109.0°	109.4°
C8	C7	H7	109.4°	109.5°
C9	C8	O8	109.1°	109.5°
C8	C9	H91	109.5°	109.5°
C8	C9	H92	109.5°	109.5°
C8	C9	H93	109.5°	109.5°
C9	C8	H8	109.1°	109.5°
O8	C8	H8	110.9°	109.5°
C8	O8	HO8	109.5°	114.0°
C2	O2	HO2	109.5°	114.0°
H91	C9	H92	109.5°	109.5°
H91	C9	H93	109.4°	109.4°
H92	C9	H93	109.5°	109.5°
H32	C3	H31	109.5°	109.6°
HN51	N5	HN52	109.4°	111.0°
HN72	N7	HN71	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C5	N5	6.0°	56.9°
O4	C4	C5	C3	122.0°	119.9°
O4	C4	C5	H4	117.4°	120.2°
O4	C4	C3	H4	117.9°	120.2°
O4	C4	C5	C6	114.8°	176.8°
O4	C4	C3	C2	71.9°	176.8°
O4	C4	C5	H5	124.6°	63.2°
O4	C4	C3	H32	167.5°	63.3°
O4	C4	C3	H31	48.7°	57.0°
N5	C5	C4	C6	120.8°	119.9°
N5	C5	C4	H5	118.6°	120.1°
N5	C5	C4	C3	128.0°	63.0°
N5	C5	C6	H5	118.6°	120.1°
N5	C5	C6	O6	73.8°	62.4°
N5	C5	C6	C7	46.2°	57.6°
N5	C5	C6	H6	165.0°	177.7°
N5	C5	C4	H4	111.4°	177.1°
C5	N5	HN51	HN52	120.0°	123.9°
O1A	C1	O1B	C2	179.4°	179.9°
O1A	C1	C2	C3	34.6°	125.0°
O1A	C1	C2	O6	158.6°	5.0°
O1A	C1	C2	O2	89.7°	115.0°
O1A	C1	O1B	HO1B	0.0°	0.1°
C5	C4	C3	H4	120.4°	119.9°
C4	C5	C6	H5	120.8°	120.0°
C5	C4	C3	C2	49.7°	57.0°
C4	C5	C6	O6	46.9°	57.5°
C4	C5	C6	C7	166.8°	177.6°
C4	C5	C6	H6	74.3°	62.4°
C5	C4	C3	H32	70.9°	176.8°
C5	C4	C3	H31	170.3°	62.9°
C4	C5	N5	HN51	180.0°	60.3°
C4	C5	N5	HN52	60.0°	175.7°
C5	C4	O4	HO4	180.0°	180.0°
C4	C3	C2	C1	82.1°	177.6°
C3	C4	C5	C6	7.2°	57.0°
C4	C3	C2	H32	120.6°	119.9°
C4	C3	C2	H31	120.6°	119.9°
C4	C3	C2	O6	38.8°	57.6°
C4	C3	C2	O2	160.8°	62.3°
C3	C4	C5	H5	113.4°	176.9°
C4	C3	H32	H31	118.1°	120.2°
C3	C4	O4	HO4	55.0°	60.4°
O1B	C1	C2	C3	144.8°	54.9°
O1B	C1	C2	O6	20.8°	174.9°
O1B	C1	C2	O2	90.9°	65.1°
C1	C2	C3	O6	120.9°	120.0°
C1	C2	C3	O2	78.7°	120.1°
C1	C2	O6	O2	76.6°	120.1°
C1	C2	O6	C6	135.6°	178.8°
C1	C2	C3	H32	157.3°	62.5°
C1	C2	C3	H31	38.5°	57.7°
C2	C1	O1B	HO1B	179.4°	180.0°
C1	C2	O2	HO2	28.5°	59.9°
C5	C6	O6	C2	58.1°	61.1°
C5	C6	O6	C7	120.7°	120.0°
C5	C6	O6	H6	120.7°	119.9°
C5	C6	C7	H6	118.8°	120.0°
C5	C6	C7	N7	45.4°	60.0°
C5	C6	C7	C8	164.7°	179.9°
C5	C6	C7	H7	76.0°	59.9°
C6	C5	C4	H4	127.8°	62.9°
C6	C5	N5	HN51	56.8°	180.0°
C6	C5	N5	HN52	63.2°	56.0°
C3	C2	O6	O2	162.8°	119.9°
C3	C2	O6	C6	15.0°	61.1°
C2	C3	C4	H4	170.1°	62.9°
C2	C3	H32	H31	118.1°	120.1°
C3	C2	O2	HO2	69.6°	180.0°
C2	O6	C6	C7	178.8°	178.8°
C2	O6	C6	H6	62.6°	58.8°
O6	C2	C3	H32	81.8°	177.5°
O6	C2	C3	H31	159.4°	62.3°
O6	C2	O2	HO2	130.3°	60.1°
O6	C6	C7	H6	119.1°	120.0°
O6	C6	C7	N7	167.6°	180.0°
O6	C6	C7	C8	73.2°	60.0°
C6	O6	C2	O2	147.7°	58.8°
O6	C6	C7	H7	46.2°	60.0°
O6	C6	C5	H5	167.7°	177.5°
C6	C7	N7	C8	118.7°	120.0°
C6	C7	N7	H7	120.9°	119.9°
C6	C7	C8	H7	119.5°	119.9°
C6	C7	C8	C9	111.1°	180.0°
C6	C7	C8	O8	8.4°	60.0°
C6	C7	C8	H8	129.6°	60.0°
C7	C6	C5	H5	72.4°	62.4°
C6	C7	N7	HN72	180.0°	63.9°
C6	C7	N7	HN71	60.0°	60.0°
N7	C7	C8	H7	121.1°	120.0°
N7	C7	C8	C9	129.5°	60.0°
N7	C7	C8	O8	111.0°	180.0°
N7	C7	C8	H8	10.1°	60.0°
N7	C7	C6	H6	73.3°	60.0°
C7	N7	HN72	HN71	120.0°	123.9°
C7	C8	C9	O8	119.5°	120.0°
C7	C8	C9	H8	119.3°	120.0°
C7	C8	O8	H8	120.0°	120.0°
C7	C8	C9	H91	180.0°	60.0°
C7	C8	C9	H92	60.0°	180.0°
C7	C8	C9	H93	60.0°	60.0°
C8	C7	C6	H6	46.0°	60.1°
C8	C7	N7	HN72	61.4°	176.0°
C8	C7	N7	HN71	178.7°	60.0°
C7	C8	O8	HO8	180.0°	180.0°
C9	C8	O8	H8	120.2°	120.0°
C8	C9	H91	H92	120.0°	120.0°
C8	C9	H91	H93	120.0°	120.0°
C8	C9	H92	H93	120.0°	120.0°
C9	C8	C7	H7	8.4°	60.0°
C9	C8	O8	HO8	60.2°	60.0°
O8	C8	C9	H91	60.5°	180.0°
O8	C8	C9	H92	59.4°	60.0°
O8	C8	C9	H93	179.5°	60.0°
O8	C8	C7	H7	127.9°	59.9°
O2	C2	C3	H32	78.6°	57.6°
O2	C2	C3	H31	40.2°	177.8°
H91	C9	H92	H93	120.0°	120.0°
H91	C9	C8	H8	60.7°	60.0°
H92	C9	C8	H8	179.3°	60.0°
H93	C9	C8	H8	59.3°	179.9°
H8	C8	C7	H7	110.9°	180.0°
H8	C8	O8	HO8	60.0°	60.0°
H7	C7	C6	H6	165.3°	180.0°
H7	C7	N7	HN72	59.1°	56.0°
H7	C7	N7	HN71	60.9°	179.9°
H6	C6	C5	H5	46.5°	57.6°
H5	C5	C4	H4	7.2°	57.0°
H5	C5	N5	HN51	61.5°	59.9°
H5	C5	N5	HN52	178.5°	64.1°
H4	C4	C3	H32	49.5°	56.9°
H4	C4	C3	H31	69.3°	177.2°
H4	C4	O4	HO4	62.9°	59.8°

Release date:	2020-07-08
Definition date:	2020-06-01
Last modified:	2020-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	6X80