NRD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAD	CAA	sing	1.47Å	1.48Å
CAA	CAB	sing	1.53Å	1.52Å
CAB	CAC	sing	1.53Å	1.52Å
CAC	CAE	sing	1.53Å	1.52Å
CAF	CAE	sing	1.53Å	1.52Å
CAF	CAG	sing	1.53Å	1.51Å
OAO	PAM	doub	1.48Å	1.50Å
OAP	PAM	sing	1.61Å	1.50Å
PAM	CAG	sing	1.82Å	1.80Å
PAM	OAN	sing	1.61Å	1.51Å
CAG	OAH	sing	1.43Å	1.42Å
CAG	PAI	sing	1.82Å	1.80Å
OAL	PAI	doub	1.48Å	1.51Å
PAI	OAJ	sing	1.61Å	1.50Å
PAI	OAK	sing	1.61Å	1.51Å
OAK	H1	sing	0.97Å	0.95Å
OAJ	H2	sing	0.97Å	0.95Å
OAP	H3	sing	0.97Å	0.95Å
OAN	H4	sing	0.97Å	0.95Å
OAH	H5	sing	0.97Å	0.95Å
CAF	H6	sing	1.09Å	1.10Å
CAF	H7	sing	1.09Å	1.10Å
CAE	H8	sing	1.09Å	1.10Å
CAE	H9	sing	1.09Å	1.10Å
CAC	H10	sing	1.09Å	1.10Å
CAC	H11	sing	1.09Å	1.10Å
CAB	H12	sing	1.09Å	1.10Å
CAB	H13	sing	1.09Å	1.10Å
CAA	H14	sing	1.09Å	1.10Å
CAA	H15	sing	1.09Å	1.10Å
NAD	H16	sing	1.01Å	1.00Å
NAD	H17	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAD	CAA	CAB	109.7°	109.5°
NAD	CAA	H14	109.4°	109.5°
NAD	CAA	H15	109.4°	109.5°
CAA	NAD	H16	109.5°	111.0°
CAA	NAD	H17	109.5°	111.0°
CAA	CAB	CAC	109.0°	109.5°
CAA	CAB	H12	109.6°	109.5°
CAA	CAB	H13	109.6°	109.5°
CAB	CAA	H14	109.4°	109.5°
CAB	CAA	H15	109.4°	109.5°
CAB	CAC	CAE	109.0°	109.5°
CAB	CAC	H10	109.6°	109.4°
CAB	CAC	H11	109.6°	109.5°
CAC	CAB	H12	109.6°	109.4°
CAC	CAB	H13	109.6°	109.4°
CAC	CAE	CAF	112.3°	109.5°
CAC	CAE	H8	108.7°	109.5°
CAC	CAE	H9	108.8°	109.5°
CAE	CAC	H10	109.6°	109.5°
CAE	CAC	H11	109.6°	109.5°
CAE	CAF	CAG	106.2°	109.5°
CAE	CAF	H6	110.3°	109.5°
CAE	CAF	H7	110.3°	109.4°
CAF	CAE	H8	108.8°	109.5°
CAF	CAE	H9	108.7°	109.4°
CAF	CAG	PAM	111.8°	109.5°
CAF	CAG	OAH	105.1°	109.5°
CAF	CAG	PAI	114.6°	109.5°
CAG	CAF	H6	110.3°	109.5°
CAG	CAF	H7	110.3°	109.5°
OAO	PAM	OAP	117.4°	109.5°
OAO	PAM	CAG	104.4°	109.5°
OAO	PAM	OAN	112.8°	109.4°
OAP	PAM	CAG	105.4°	109.5°
OAP	PAM	OAN	111.7°	109.5°
PAM	OAP	H3	109.5°	113.9°
CAG	PAM	OAN	103.6°	109.5°
PAM	CAG	OAH	111.1°	109.4°
PAM	CAG	PAI	103.1°	109.5°
PAM	OAN	H4	109.5°	114.0°
OAH	CAG	PAI	111.2°	109.5°
CAG	OAH	H5	109.5°	114.0°
CAG	PAI	OAL	104.6°	109.5°
CAG	PAI	OAJ	104.7°	109.5°
CAG	PAI	OAK	101.0°	109.5°
OAL	PAI	OAJ	113.9°	109.5°
OAL	PAI	OAK	114.5°	109.5°
OAJ	PAI	OAK	115.9°	109.5°
PAI	OAJ	H2	109.5°	114.0°
PAI	OAK	H1	109.5°	114.0°
H6	CAF	H7	109.5°	109.5°
H8	CAE	H9	109.5°	109.4°
H10	CAC	H11	109.4°	109.5°
H12	CAB	H13	109.4°	109.5°
H14	CAA	H15	109.5°	109.5°
H16	NAD	H17	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAD	CAA	CAB	H14	120.0°	120.0°
NAD	CAA	CAB	H15	120.0°	120.0°
NAD	CAA	CAB	CAC	143.5°	180.0°
NAD	CAA	CAB	H12	96.5°	60.0°
NAD	CAA	CAB	H13	23.6°	60.0°
NAD	CAA	H14	H15	119.9°	120.0°
CAA	NAD	H16	H17	120.0°	123.9°
CAA	CAB	CAC	H12	119.9°	120.0°
CAA	CAB	CAC	H13	119.9°	120.1°
CAA	CAB	CAC	CAE	164.3°	180.0°
CAA	CAB	CAC	H10	44.3°	60.0°
CAA	CAB	CAC	H11	75.8°	60.0°
CAA	CAB	H12	H13	120.2°	120.1°
CAB	CAA	H14	H15	119.9°	120.0°
CAB	CAA	NAD	H16	180.0°	180.0°
CAB	CAA	NAD	H17	60.0°	56.1°
CAB	CAC	CAE	H10	120.0°	120.0°
CAB	CAC	CAE	H11	120.0°	120.0°
CAB	CAC	CAE	CAF	147.0°	180.0°
CAB	CAC	CAE	H8	92.5°	60.0°
CAB	CAC	CAE	H9	26.6°	60.0°
CAB	CAC	H10	H11	120.2°	120.0°
CAC	CAB	H12	H13	120.2°	119.9°
CAC	CAB	CAA	H14	23.5°	60.0°
CAC	CAB	CAA	H15	96.5°	60.0°
CAC	CAE	CAF	H8	120.4°	120.1°
CAC	CAE	CAF	H9	120.4°	120.0°
CAC	CAE	CAF	CAG	176.2°	NaN°
CAC	CAE	CAF	H6	64.3°	60.0°
CAC	CAE	CAF	H7	56.8°	60.0°
CAC	CAE	H8	H9	118.7°	120.0°
CAE	CAC	H10	H11	120.2°	120.0°
CAE	CAC	CAB	H12	75.8°	60.0°
CAE	CAC	CAB	H13	44.3°	60.0°
CAE	CAF	CAG	H6	119.5°	120.0°
CAE	CAF	CAG	H7	119.5°	120.0°
CAE	CAF	CAG	PAM	145.5°	60.0°
CAE	CAF	CAG	OAH	24.8°	60.0°
CAE	CAF	CAG	PAI	97.6°	180.0°
CAE	CAF	H6	H7	121.5°	120.0°
CAF	CAE	H8	H9	118.7°	120.0°
CAF	CAE	CAC	H10	27.1°	60.0°
CAF	CAE	CAC	H11	93.0°	60.0°
CAF	CAG	PAM	OAO	48.5°	180.0°
CAF	CAG	PAM	OAP	75.8°	60.0°
CAF	CAG	PAM	OAH	117.1°	120.0°
CAF	CAG	PAM	PAI	123.6°	120.0°
CAF	CAG	PAM	OAN	166.7°	60.0°
CAF	CAG	OAH	PAI	124.6°	120.0°
CAF	CAG	PAI	OAL	59.9°	60.0°
CAF	CAG	PAI	OAJ	60.2°	180.0°
CAF	CAG	PAI	OAK	179.1°	60.0°
CAF	CAG	OAH	H5	180.0°	60.0°
CAG	CAF	H6	H7	121.5°	120.0°
CAG	CAF	CAE	H8	55.8°	59.9°
CAG	CAF	CAE	H9	63.3°	60.0°
OAO	PAM	OAP	CAG	115.6°	120.1°
OAO	PAM	OAP	OAN	132.5°	120.0°
OAO	PAM	CAG	OAN	118.2°	120.0°
OAO	PAM	CAG	OAH	165.6°	60.0°
OAO	PAM	CAG	PAI	75.1°	60.0°
OAO	PAM	OAP	H3	0.0°	59.9°
OAO	PAM	OAN	H4	0.0°	180.0°
OAP	PAM	CAG	OAN	117.5°	120.0°
OAP	PAM	CAG	OAH	41.4°	60.0°
OAP	PAM	CAG	PAI	160.6°	180.0°
OAP	PAM	OAN	H4	134.8°	60.0°
PAM	CAG	OAH	PAI	114.3°	120.0°
PAM	CAG	PAI	OAL	61.9°	60.0°
PAM	CAG	PAI	OAJ	178.0°	60.0°
PAM	CAG	PAI	OAK	57.3°	180.0°
CAG	PAM	OAP	H3	115.6°	180.0°
CAG	PAM	OAN	H4	112.3°	60.0°
PAM	CAG	OAH	H5	58.9°	180.0°
PAM	CAG	CAF	H6	26.0°	180.0°
PAM	CAG	CAF	H7	95.0°	60.0°
OAN	PAM	CAG	OAH	76.1°	180.0°
OAN	PAM	CAG	PAI	43.1°	60.0°
OAN	PAM	OAP	H3	132.5°	60.0°
OAH	CAG	PAI	OAL	179.0°	180.0°
OAH	CAG	PAI	OAJ	58.9°	60.0°
OAH	CAG	PAI	OAK	61.8°	60.0°
OAH	CAG	CAF	H6	94.6°	60.0°
OAH	CAG	CAF	H7	144.3°	180.0°
CAG	PAI	OAL	OAJ	113.7°	120.0°
CAG	PAI	OAL	OAK	109.6°	120.0°
CAG	PAI	OAJ	OAK	110.2°	120.0°
CAG	PAI	OAK	H1	111.7°	60.0°
CAG	PAI	OAJ	H2	113.7°	180.0°
PAI	CAG	OAH	H5	55.4°	60.0°
PAI	CAG	CAF	H6	143.0°	60.0°
PAI	CAG	CAF	H7	21.9°	60.0°
OAL	PAI	OAJ	OAK	136.1°	120.0°
OAL	PAI	OAK	H1	0.0°	180.0°
OAL	PAI	OAJ	H2	0.0°	60.0°
OAJ	PAI	OAK	H1	135.9°	60.0°
OAK	PAI	OAJ	H2	136.1°	60.0°
H6	CAF	CAE	H8	175.3°	179.9°
H6	CAF	CAE	H9	56.2°	60.0°
H7	CAF	CAE	H8	63.6°	60.1°
H7	CAF	CAE	H9	177.2°	180.0°
H8	CAE	CAC	H10	147.5°	180.0°
H8	CAE	CAC	H11	27.4°	60.1°
H9	CAE	CAC	H10	93.4°	60.0°
H9	CAE	CAC	H11	146.5°	NaN°
H10	CAC	CAB	H12	164.3°	180.0°
H10	CAC	CAB	H13	75.6°	60.0°
H11	CAC	CAB	H12	44.2°	60.0°
H11	CAC	CAB	H13	164.3°	180.0°
H12	CAB	CAA	H14	143.5°	180.0°
H12	CAB	CAA	H15	23.5°	60.0°
H13	CAB	CAA	H14	96.4°	60.0°
H13	CAB	CAA	H15	143.6°	180.0°
H14	CAA	NAD	H16	60.0°	60.0°
H14	CAA	NAD	H17	60.0°	176.0°
H15	CAA	NAD	H16	60.0°	60.0°
H15	CAA	NAD	H17	180.0°	63.9°

Release date:	2016-01-20
Definition date:	2015-11-16
Last modified:	2016-01-15
Release status:	REL
Processing site:	RCSB
Derived from:	5ER8