AUJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAC	CBC	sing	0.00Å	1.49Å
OAH	CBC	sing	0.00Å	1.38Å
OAF	PBD	doub	0.00Å	1.36Å
CBC	OBC1	sing	0.00Å	1.41Å
CBC	CBA	sing	0.00Å	1.52Å
OAJ	PBD	sing	0.00Å	1.47Å
OC11	OBC1	sing	0.00Å	1.44Å
NAD	C4	sing	0.00Å	1.38Å
PBD	OAT	sing	0.00Å	1.53Å
PBD	OAI	sing	0.00Å	1.38Å
SAU	CBA	sing	0.00Å	1.72Å	Aromatic
SAU	CAZ	sing	0.00Å	1.72Å	Aromatic
OAT	PBE	sing	0.00Å	1.51Å
CBA	NBB	doub	0.00Å	1.41Å	Aromatic
C4	N3	doub	0.00Å	1.26Å	Aromatic
C4	C5	sing	0.00Å	1.49Å	Aromatic
N3	C2	sing	0.00Å	1.39Å	Aromatic
OAG	PBE	doub	0.00Å	1.36Å
CAN	OAS	sing	0.00Å	1.38Å
CAN	CAO	sing	0.00Å	1.48Å
PBE	OAS	sing	0.00Å	1.50Å
PBE	OAK	sing	0.00Å	1.37Å
NBB	CAP	sing	0.00Å	1.40Å
NBB	CAX	sing	0.00Å	1.38Å	Aromatic
CAZ	CAO	sing	0.00Å	1.50Å
CAZ	CAX	doub	0.00Å	1.34Å	Aromatic
CAP	C5	sing	0.00Å	1.49Å
C5	C6	doub	0.00Å	1.32Å	Aromatic
CAX	CAB	sing	0.00Å	1.49Å
C2	CAA	sing	0.00Å	1.48Å
C2	N1	doub	0.00Å	1.28Å	Aromatic
C6	N1	sing	0.00Å	1.38Å	Aromatic
CAB	H1	sing	0.00Å	1.10Å
CAB	H2	sing	0.00Å	1.10Å
CAB	H3	sing	0.00Å	1.10Å
OAH	H4	sing	0.00Å	0.95Å
CAC	H5	sing	0.00Å	1.10Å
CAC	H6	sing	0.00Å	1.10Å
CAC	H7	sing	0.00Å	1.10Å
OAI	H8	sing	0.00Å	0.95Å
OAK	H9	sing	0.00Å	0.95Å
CAA	H10	sing	0.00Å	1.10Å
CAA	H11	sing	0.00Å	1.10Å
CAA	H12	sing	0.00Å	1.10Å
CAN	H13	sing	0.00Å	1.10Å
CAN	H14	sing	0.00Å	1.10Å
CAO	H15	sing	0.00Å	1.10Å
CAO	H16	sing	0.00Å	1.10Å
CAP	H17	sing	0.00Å	1.10Å
CAP	H18	sing	0.00Å	1.10Å
NAD	H19	sing	0.00Å	1.00Å
NAD	H20	sing	0.00Å	1.00Å
OAJ	H21	sing	0.00Å	0.95Å
C6	H23	sing	0.00Å	1.08Å
OC11	H24	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CBC	OAH	107.3°	90.0°
CAC	CBC	OBC1	106.3°	90.0°
CAC	CBC	CBA	109.5°	90.0°
CBC	CAC	H5	109.5°	90.0°
CBC	CAC	H6	109.4°	90.0°
CBC	CAC	H7	109.5°	90.0°
OAH	CBC	OBC1	110.3°	90.0°
OAH	CBC	CBA	110.9°	90.0°
CBC	OAH	H4	109.5°	90.0°
OAF	PBD	OAJ	111.9°	90.0°
OAF	PBD	OAT	107.6°	90.0°
OAF	PBD	OAI	105.7°	90.0°
OBC1	CBC	CBA	112.2°	90.0°
CBC	OBC1	OC11	119.2°	90.0°
CBC	CBA	SAU	121.5°	90.0°
CBC	CBA	NBB	128.8°	90.0°
OAJ	PBD	OAT	109.5°	90.0°
OAJ	PBD	OAI	111.3°	90.0°
PBD	OAJ	H21	109.5°	90.0°
OBC1	OC11	H24	109.5°	90.0°
NAD	C4	N3	119.2°	90.0°
NAD	C4	C5	122.5°	90.0°
C4	NAD	H19	109.5°	90.0°
C4	NAD	H20	109.4°	90.0°
OAT	PBD	OAI	110.7°	90.0°
PBD	OAT	PBE	129.4°	90.0°
PBD	OAI	H8	109.5°	90.0°
CBA	SAU	CAZ	91.1°	90.0°
SAU	CBA	NBB	109.6°	90.0°
SAU	CAZ	CAO	124.0°	90.0°
SAU	CAZ	CAX	111.6°	90.0°
OAT	PBE	OAG	111.9°	90.0°
OAT	PBE	OAS	113.5°	90.0°
OAT	PBE	OAK	109.7°	90.0°
CBA	NBB	CAP	125.0°	90.0°
CBA	NBB	CAX	111.3°	90.0°
N3	C4	C5	118.2°	90.0°
C4	N3	C2	120.5°	90.0°
C4	C5	CAP	122.4°	90.0°
C4	C5	C6	118.7°	90.0°
N3	C2	CAA	117.2°	90.0°
N3	C2	N1	123.0°	90.0°
OAG	PBE	OAS	113.8°	90.0°
OAG	PBE	OAK	100.5°	90.0°
OAS	CAN	CAO	110.6°	90.0°
CAN	OAS	PBE	121.4°	90.0°
OAS	CAN	H13	109.2°	90.0°
OAS	CAN	H14	109.2°	90.0°
CAN	CAO	CAZ	115.2°	90.0°
CAO	CAN	H13	109.2°	90.0°
CAO	CAN	H14	109.2°	90.0°
CAN	CAO	H15	108.0°	90.0°
CAN	CAO	H16	108.0°	90.0°
OAS	PBE	OAK	106.3°	90.0°
PBE	OAK	H9	109.5°	90.0°
CAP	NBB	CAX	123.7°	90.0°
NBB	CAP	C5	115.5°	90.0°
NBB	CAP	H17	107.9°	90.0°
NBB	CAP	H18	108.0°	90.0°
NBB	CAX	CAZ	114.0°	90.0°
NBB	CAX	CAB	122.3°	90.0°
CAO	CAZ	CAX	124.4°	90.0°
CAZ	CAO	H15	108.0°	90.0°
CAZ	CAO	H16	108.0°	90.0°
CAZ	CAX	CAB	123.6°	90.0°
CAP	C5	C6	118.9°	90.0°
C5	CAP	H17	108.0°	90.0°
C5	CAP	H18	107.9°	90.0°
C5	C6	N1	119.4°	90.0°
C5	C6	H23	120.3°	90.0°
CAX	CAB	H1	109.5°	90.0°
CAX	CAB	H2	109.4°	90.0°
CAX	CAB	H3	109.5°	90.0°
CAA	C2	N1	119.7°	90.0°
C2	CAA	H10	109.5°	90.0°
C2	CAA	H11	109.5°	90.0°
C2	CAA	H12	109.4°	90.0°
C2	N1	C6	120.1°	90.0°
N1	C6	H23	120.3°	90.0°
H1	CAB	H2	109.5°	90.0°
H1	CAB	H3	109.5°	90.0°
H2	CAB	H3	109.5°	90.0°
H5	CAC	H6	109.5°	90.0°
H5	CAC	H7	109.5°	90.0°
H6	CAC	H7	109.5°	90.0°
H10	CAA	H11	109.4°	90.0°
H10	CAA	H12	109.5°	90.0°
H11	CAA	H12	109.5°	90.0°
H13	CAN	H14	109.5°	90.0°
H15	CAO	H16	109.5°	90.0°
H17	CAP	H18	109.5°	90.0°
H19	NAD	H20	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CBC	OAH	OBC1	115.4°	90.0°
CAC	CBC	OAH	CBA	119.6°	90.0°
CAC	CBC	OBC1	CBA	119.7°	90.0°
CAC	CBC	OBC1	OC11	114.1°	90.0°
CAC	CBC	CBA	SAU	12.5°	90.0°
CAC	CBC	CBA	NBB	162.8°	90.0°
CAC	CBC	OAH	H4	180.0°	90.0°
CBC	CAC	H5	H6	120.0°	90.0°
CBC	CAC	H5	H7	120.0°	90.0°
CBC	CAC	H6	H7	120.0°	90.0°
OAH	CBC	OBC1	CBA	124.2°	90.0°
OAH	CBC	OBC1	OC11	2.0°	90.0°
OAH	CBC	CBA	SAU	105.8°	90.0°
OAH	CBC	CBA	NBB	79.0°	90.0°
OAH	CBC	CAC	H5	180.0°	90.0°
OAH	CBC	CAC	H6	60.0°	90.0°
OAH	CBC	CAC	H7	60.0°	90.0°
OAF	PBD	OAJ	OAT	119.2°	90.0°
OAF	PBD	OAJ	OAI	118.1°	90.0°
OAF	PBD	OAT	OAI	115.1°	90.0°
OAF	PBD	OAT	PBE	133.8°	90.0°
OAF	PBD	OAI	H8	0.0°	90.0°
OAF	PBD	OAJ	H21	0.0°	90.0°
OBC1	CBC	CBA	SAU	130.3°	90.0°
OBC1	CBC	CBA	NBB	45.0°	90.0°
OBC1	CBC	OAH	H4	64.6°	90.0°
OBC1	CBC	CAC	H5	61.9°	90.0°
OBC1	CBC	CAC	H6	178.1°	90.0°
OBC1	CBC	CAC	H7	58.1°	90.0°
CBC	OBC1	OC11	H24	180.0°	90.0°
CBA	CBC	OBC1	OC11	126.2°	90.0°
CBC	CBA	SAU	NBB	176.1°	90.0°
CBC	CBA	SAU	CAZ	164.9°	90.0°
CBC	CBA	NBB	CAP	18.5°	90.0°
CBC	CBA	NBB	CAX	158.9°	90.0°
CBA	CBC	OAH	H4	60.4°	90.0°
CBA	CBC	CAC	H5	59.5°	90.0°
CBA	CBC	CAC	H6	60.5°	90.0°
CBA	CBC	CAC	H7	179.5°	90.0°
OAJ	PBD	OAT	OAI	123.0°	90.0°
OAJ	PBD	OAT	PBE	104.3°	90.0°
OAJ	PBD	OAI	H8	121.7°	90.0°
NAD	C4	N3	C5	179.7°	90.0°
NAD	C4	N3	C2	179.8°	90.0°
NAD	C4	C5	CAP	0.3°	90.0°
NAD	C4	C5	C6	179.8°	90.0°
C4	NAD	H19	H20	120.0°	90.0°
PBD	OAT	PBE	OAG	161.5°	90.0°
PBD	OAT	PBE	OAS	67.9°	90.0°
PBD	OAT	PBE	OAK	50.8°	90.0°
OAT	PBD	OAI	H8	116.3°	90.0°
OAT	PBD	OAJ	H21	119.2°	90.0°
OAI	PBD	OAT	PBE	18.7°	90.0°
OAI	PBD	OAJ	H21	118.1°	90.0°
SAU	CBA	NBB	CAP	165.8°	90.0°
SAU	CBA	NBB	CAX	16.8°	90.0°
CBA	SAU	CAZ	CAO	176.5°	90.0°
CBA	SAU	CAZ	CAX	2.9°	90.0°
CAZ	SAU	CBA	NBB	11.1°	90.0°
SAU	CAZ	CAO	CAN	21.9°	90.0°
SAU	CAZ	CAX	NBB	6.6°	90.0°
SAU	CAZ	CAO	CAX	179.3°	90.0°
SAU	CAZ	CAX	CAB	169.9°	90.0°
SAU	CAZ	CAO	H15	142.8°	90.0°
SAU	CAZ	CAO	H16	98.9°	90.0°
OAT	PBE	OAG	OAS	130.4°	90.0°
OAT	PBE	OAG	OAK	116.4°	90.0°
OAT	PBE	OAS	CAN	51.0°	90.0°
OAT	PBE	OAS	OAK	120.7°	90.0°
OAT	PBE	OAK	H9	118.1°	90.0°
CBA	NBB	CAP	CAX	177.1°	90.0°
CBA	NBB	CAX	CAZ	15.3°	90.0°
CBA	NBB	CAP	C5	109.6°	90.0°
CBA	NBB	CAX	CAB	161.3°	90.0°
CBA	NBB	CAP	H17	129.5°	90.0°
CBA	NBB	CAP	H18	11.3°	90.0°
N3	C4	C5	CAP	179.4°	90.0°
N3	C4	C5	C6	0.1°	90.0°
C4	N3	C2	CAA	179.6°	90.0°
C4	N3	C2	N1	0.1°	90.0°
N3	C4	NAD	H19	0.0°	90.0°
N3	C4	NAD	H20	120.0°	90.0°
C5	C4	N3	C2	0.1°	90.0°
C4	C5	CAP	NBB	63.2°	90.0°
C4	C5	CAP	C6	179.5°	90.0°
C4	C5	C6	N1	0.0°	90.0°
C4	C5	CAP	H17	175.9°	90.0°
C4	C5	CAP	H18	57.6°	90.0°
C5	C4	NAD	H19	179.7°	90.0°
C5	C4	NAD	H20	60.3°	90.0°
C4	C5	C6	H23	180.0°	90.0°
N3	C2	CAA	N1	179.6°	90.0°
N3	C2	N1	C6	0.0°	90.0°
N3	C2	CAA	H10	0.0°	90.0°
N3	C2	CAA	H11	120.0°	90.0°
N3	C2	CAA	H12	120.0°	90.0°
OAG	PBE	OAS	CAN	78.6°	90.0°
OAG	PBE	OAS	OAK	109.7°	90.0°
OAG	PBE	OAK	H9	0.0°	90.0°
OAS	CAN	CAO	H13	120.2°	90.0°
OAS	CAN	CAO	H14	120.2°	90.0°
CAN	OAS	PBE	OAK	171.7°	90.0°
OAS	CAN	CAO	CAZ	172.7°	90.0°
OAS	CAN	H13	H14	119.5°	90.0°
OAS	CAN	CAO	H15	51.8°	90.0°
OAS	CAN	CAO	H16	66.5°	90.0°
CAO	CAN	OAS	PBE	167.6°	90.0°
CAN	CAO	CAZ	H15	120.9°	90.0°
CAN	CAO	CAZ	H16	120.8°	90.0°
CAN	CAO	CAZ	CAX	158.7°	90.0°
CAO	CAN	H13	H14	119.5°	90.0°
CAN	CAO	H15	H16	117.4°	90.0°
OAS	PBE	OAK	H9	118.8°	90.0°
PBE	OAS	CAN	H13	72.2°	90.0°
PBE	OAS	CAN	H14	47.4°	90.0°
CAP	NBB	CAX	CAZ	167.3°	90.0°
NBB	CAP	C5	H17	120.9°	90.0°
NBB	CAP	C5	H18	120.9°	90.0°
NBB	CAP	C5	C6	116.3°	90.0°
CAP	NBB	CAX	CAB	16.2°	90.0°
NBB	CAP	H17	H18	117.3°	90.0°
NBB	CAX	CAZ	CAO	174.0°	90.0°
NBB	CAX	CAZ	CAB	176.5°	90.0°
CAX	NBB	CAP	C5	73.3°	90.0°
NBB	CAX	CAB	H1	180.0°	90.0°
NBB	CAX	CAB	H2	60.0°	90.0°
NBB	CAX	CAB	H3	60.0°	90.0°
CAX	NBB	CAP	H17	47.6°	90.0°
CAX	NBB	CAP	H18	165.8°	90.0°
CAO	CAZ	CAX	CAB	9.5°	90.0°
CAZ	CAO	CAN	H13	67.1°	90.0°
CAZ	CAO	CAN	H14	52.5°	90.0°
CAZ	CAO	H15	H16	117.4°	90.0°
CAZ	CAX	CAB	H1	3.8°	90.0°
CAZ	CAX	CAB	H2	116.2°	90.0°
CAZ	CAX	CAB	H3	123.8°	90.0°
CAX	CAZ	CAO	H15	37.9°	90.0°
CAX	CAZ	CAO	H16	80.4°	90.0°
CAP	C5	C6	N1	179.5°	90.0°
C5	CAP	H17	H18	117.2°	90.0°
CAP	C5	C6	H23	0.5°	90.0°
C5	C6	N1	C2	0.0°	90.0°
C5	C6	N1	H23	180.0°	90.0°
C6	C5	CAP	H17	4.6°	90.0°
C6	C5	CAP	H18	122.8°	90.0°
CAX	CAB	H1	H2	120.0°	90.0°
CAX	CAB	H1	H3	120.0°	90.0°
CAX	CAB	H2	H3	120.0°	90.0°
CAA	C2	N1	C6	179.6°	90.0°
C2	CAA	H10	H11	120.0°	90.0°
C2	CAA	H10	H12	120.0°	90.0°
C2	CAA	H11	H12	120.0°	90.0°
N1	C2	CAA	H10	179.7°	90.0°
N1	C2	CAA	H11	60.4°	90.0°
N1	C2	CAA	H12	59.6°	90.0°
C2	N1	C6	H23	180.0°	90.0°
H1	CAB	H2	H3	120.0°	90.0°
H5	CAC	H6	H7	120.0°	90.0°
H10	CAA	H11	H12	120.0°	90.0°
H13	CAN	CAO	H15	172.0°	90.0°
H13	CAN	CAO	H16	53.7°	90.0°
H14	CAN	CAO	H15	68.3°	90.0°
H14	CAN	CAO	H16	173.4°	90.0°

Release date:	2018-02-14
Definition date:	2017-07-26
Last modified:	2022-05-19
Release status:	REL
Processing site:	RCSB
Derived from:	5WKC