BU7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAF	CAH	doub	1.38Å	1.39Å	Aromatic
CAF	CAN	sing	1.39Å	1.39Å	Aromatic
CAH	CAO	sing	1.40Å	1.39Å	Aromatic
OAC	CAN	sing	1.36Å	1.36Å
CAN	CAG	doub	1.39Å	1.39Å	Aromatic
CAE	CAO	sing	1.47Å	1.40Å
CAE	CAR	doub	1.36Å	1.35Å
CAO	CAI	doub	1.40Å	1.39Å	Aromatic
SAM	CAR	sing	1.77Å	1.62Å
SAM	CAQ	sing	1.77Å	1.58Å
CAR	CAP	sing	1.47Å	1.36Å
CAG	CAI	sing	1.38Å	1.39Å	Aromatic
CAQ	SAD	doub	1.71Å	1.67Å
CAQ	NAS	sing	1.34Å	1.34Å
CAP	NAS	sing	1.32Å	1.36Å
CAP	OAB	doub	1.22Å	1.23Å
NAS	CAL	sing	1.47Å	1.53Å
CAL	CAK	sing	1.53Å	1.55Å
CAK	CAJ	sing	1.53Å	1.53Å
CAJ	CAA	sing	1.53Å	1.54Å
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAE	H4	sing	1.08Å	1.08Å
CAF	H6	sing	1.08Å	1.08Å
CAG	H7	sing	1.08Å	1.08Å
CAH	H8	sing	1.08Å	1.08Å
CAI	H9	sing	1.08Å	1.08Å
CAJ	H10	sing	1.09Å	1.10Å
CAJ	H11	sing	1.09Å	1.10Å
CAK	H12	sing	1.09Å	1.10Å
CAK	H13	sing	1.09Å	1.10Å
CAL	H14	sing	1.09Å	1.10Å
CAL	H15	sing	1.09Å	1.10Å
OAC	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAH	CAF	CAN	119.9°	120.1°
CAF	CAH	CAO	121.2°	119.9°
CAH	CAF	H6	120.1°	119.9°
CAF	CAH	H8	119.4°	120.1°
CAF	CAN	OAC	120.4°	119.9°
CAF	CAN	CAG	119.9°	120.3°
CAN	CAF	H6	120.1°	120.0°
CAH	CAO	CAE	115.6°	120.1°
CAH	CAO	CAI	117.7°	119.8°
CAO	CAH	H8	119.4°	120.0°
OAC	CAN	CAG	119.8°	119.9°
CAN	OAC	H16	109.5°	114.0°
CAN	CAG	CAI	119.4°	120.2°
CAN	CAG	H7	120.3°	119.9°
CAO	CAE	CAR	128.8°	120.0°
CAE	CAO	CAI	126.7°	120.1°
CAO	CAE	H4	115.6°	119.9°
CAE	CAR	SAM	116.6°	127.9°
CAE	CAR	CAP	136.1°	128.0°
CAR	CAE	H4	115.6°	120.1°
CAO	CAI	CAG	122.0°	119.8°
CAO	CAI	H9	119.0°	120.1°
CAR	SAM	CAQ	96.6°	94.6°
SAM	CAR	CAP	107.1°	104.1°
SAM	CAQ	SAD	122.0°	126.6°
SAM	CAQ	NAS	111.4°	106.9°
CAR	CAP	NAS	114.5°	114.9°
CAR	CAP	OAB	124.5°	122.5°
CAI	CAG	H7	120.3°	119.9°
CAG	CAI	H9	119.0°	120.1°
SAD	CAQ	NAS	126.7°	126.6°
CAQ	NAS	CAP	110.4°	119.5°
CAQ	NAS	CAL	119.6°	120.2°
NAS	CAP	OAB	120.9°	122.6°
CAP	NAS	CAL	130.0°	120.2°
NAS	CAL	CAK	115.8°	109.5°
NAS	CAL	H14	107.9°	109.5°
NAS	CAL	H15	107.8°	109.5°
CAL	CAK	CAJ	111.1°	109.5°
CAL	CAK	H12	109.1°	109.5°
CAL	CAK	H13	109.1°	109.5°
CAK	CAL	H14	107.9°	109.5°
CAK	CAL	H15	107.9°	109.5°
CAK	CAJ	CAA	110.1°	109.5°
CAK	CAJ	H10	109.3°	109.5°
CAK	CAJ	H11	109.3°	109.4°
CAJ	CAK	H12	109.1°	109.5°
CAJ	CAK	H13	109.0°	109.5°
CAJ	CAA	H1	109.5°	109.5°
CAJ	CAA	H2	109.5°	109.5°
CAJ	CAA	H3	109.5°	109.5°
CAA	CAJ	H10	109.3°	109.5°
CAA	CAJ	H11	109.3°	109.5°
H1	CAA	H2	109.5°	109.5°
H1	CAA	H3	109.5°	109.5°
H2	CAA	H3	109.4°	109.5°
H10	CAJ	H11	109.5°	109.5°
H12	CAK	H13	109.5°	109.4°
H14	CAL	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAH	CAF	CAN	H6	180.0°	179.6°
CAF	CAH	CAO	H8	180.0°	179.9°
CAH	CAF	CAN	OAC	179.9°	179.9°
CAH	CAF	CAN	CAG	0.1°	0.0°
CAF	CAH	CAO	CAE	179.5°	180.0°
CAF	CAH	CAO	CAI	0.6°	0.1°
CAN	CAF	CAH	CAO	0.4°	0.1°
CAF	CAN	OAC	CAG	179.9°	180.0°
CAF	CAN	CAG	CAI	0.0°	0.0°
CAF	CAN	CAG	H7	180.0°	179.9°
CAN	CAF	CAH	H8	179.7°	180.0°
CAF	CAN	OAC	H16	180.0°	90.0°
CAH	CAO	CAE	CAI	178.8°	180.0°
CAH	CAO	CAE	CAR	179.1°	139.3°
CAH	CAO	CAI	CAG	0.5°	0.0°
CAH	CAO	CAE	H4	0.9°	40.7°
CAO	CAH	CAF	H6	179.6°	179.7°
CAH	CAO	CAI	H9	179.5°	180.0°
OAC	CAN	CAG	CAI	179.9°	180.0°
OAC	CAN	CAF	H6	0.1°	0.3°
OAC	CAN	CAG	H7	0.1°	0.1°
CAN	CAG	CAI	CAO	0.3°	0.0°
CAN	CAG	CAI	H7	180.0°	180.0°
CAG	CAN	CAF	H6	179.9°	179.7°
CAN	CAG	CAI	H9	179.8°	180.0°
CAG	CAN	OAC	H16	0.0°	90.0°
CAO	CAE	CAR	H4	180.0°	180.0°
CAO	CAE	CAR	SAM	172.3°	171.9°
CAO	CAE	CAR	CAP	2.3°	8.1°
CAE	CAO	CAI	CAG	179.4°	180.0°
CAE	CAO	CAH	H8	0.5°	0.0°
CAE	CAO	CAI	H9	0.7°	0.0°
CAR	CAE	CAO	CAI	0.3°	40.7°
CAE	CAR	SAM	CAP	176.1°	180.0°
CAE	CAR	SAM	CAQ	178.0°	179.8°
CAE	CAR	CAP	NAS	177.7°	180.0°
CAE	CAR	CAP	OAB	5.3°	0.3°
CAO	CAI	CAG	H9	180.0°	180.0°
CAI	CAO	CAE	H4	179.7°	139.3°
CAO	CAI	CAG	H7	179.8°	180.0°
CAI	CAO	CAH	H8	179.4°	180.0°
CAR	SAM	CAQ	SAD	179.2°	179.9°
CAR	SAM	CAQ	NAS	0.7°	0.3°
SAM	CAR	CAP	NAS	2.7°	0.0°
SAM	CAR	CAP	OAB	179.8°	179.7°
SAM	CAR	CAE	H4	7.7°	8.1°
CAQ	SAM	CAR	CAP	1.9°	0.2°
SAM	CAQ	SAD	NAS	179.8°	179.5°
SAM	CAQ	NAS	CAP	0.8°	0.4°
SAM	CAQ	NAS	CAL	179.6°	179.6°
CAR	CAP	NAS	CAQ	2.3°	0.2°
CAR	CAP	NAS	OAB	177.2°	179.8°
CAR	CAP	NAS	CAL	179.1°	179.7°
CAP	CAR	CAE	H4	177.7°	171.9°
SAD	CAQ	NAS	CAP	179.4°	180.0°
SAD	CAQ	NAS	CAL	0.6°	0.0°
CAQ	NAS	CAP	CAL	178.6°	179.9°
CAQ	NAS	CAP	OAB	179.5°	180.0°
CAQ	NAS	CAL	CAK	159.8°	90.0°
CAQ	NAS	CAL	H14	79.2°	150.0°
CAQ	NAS	CAL	H15	38.9°	30.0°
CAP	NAS	CAL	CAK	21.7°	90.0°
CAP	NAS	CAL	H14	99.3°	30.0°
CAP	NAS	CAL	H15	142.6°	150.0°
OAB	CAP	NAS	CAL	1.9°	0.1°
NAS	CAL	CAK	H14	120.9°	120.0°
NAS	CAL	CAK	H15	120.9°	120.0°
NAS	CAL	CAK	CAJ	179.2°	180.0°
NAS	CAL	CAK	H12	60.5°	59.9°
NAS	CAL	CAK	H13	59.0°	60.0°
NAS	CAL	H14	H15	117.1°	120.0°
CAL	CAK	CAJ	H12	120.3°	120.0°
CAL	CAK	CAJ	H13	120.3°	120.0°
CAL	CAK	CAJ	CAA	179.3°	180.0°
CAL	CAK	CAJ	H10	59.2°	60.0°
CAL	CAK	CAJ	H11	60.6°	60.0°
CAL	CAK	H12	H13	119.3°	120.0°
CAK	CAL	H14	H15	117.1°	120.0°
CAK	CAJ	CAA	H10	120.1°	120.0°
CAK	CAJ	CAA	H11	120.1°	119.9°
CAK	CAJ	CAA	H1	180.0°	180.0°
CAK	CAJ	CAA	H2	60.0°	60.0°
CAK	CAJ	CAA	H3	60.0°	60.0°
CAK	CAJ	H10	H11	119.7°	119.9°
CAJ	CAK	H12	H13	119.2°	120.0°
CAJ	CAK	CAL	H14	58.3°	60.0°
CAJ	CAK	CAL	H15	59.9°	60.0°
CAJ	CAA	H1	H2	120.0°	120.0°
CAJ	CAA	H1	H3	120.0°	120.0°
CAJ	CAA	H2	H3	120.0°	120.0°
CAA	CAJ	H10	H11	119.7°	120.0°
CAA	CAJ	CAK	H12	60.5°	60.0°
CAA	CAJ	CAK	H13	59.0°	60.0°
H1	CAA	H2	H3	120.0°	120.0°
H1	CAA	CAJ	H10	59.9°	60.0°
H1	CAA	CAJ	H11	59.9°	60.1°
H2	CAA	CAJ	H10	179.9°	60.0°
H2	CAA	CAJ	H11	60.1°	180.0°
H3	CAA	CAJ	H10	60.2°	180.0°
H3	CAA	CAJ	H11	180.0°	60.0°
H6	CAF	CAH	H8	0.4°	0.4°
H7	CAG	CAI	H9	0.2°	0.0°
H10	CAJ	CAK	H12	179.4°	180.0°
H10	CAJ	CAK	H13	61.1°	60.0°
H11	CAJ	CAK	H12	59.6°	60.0°
H11	CAJ	CAK	H13	179.1°	180.0°
H12	CAK	CAL	H14	178.5°	180.0°
H12	CAK	CAL	H15	60.4°	60.1°
H13	CAK	CAL	H14	62.0°	60.0°
H13	CAK	CAL	H15	179.9°	NaN°

Release date:	2018-03-07
Definition date:	2017-08-25
Last modified:	2018-03-02
Release status:	REL
Processing site:	RCSB
Derived from:	6ASC