2QC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAE	CAF	doub	1.38Å	1.39Å	Aromatic
CAE	CAD	sing	1.39Å	1.39Å	Aromatic
CAF	CAK	sing	1.38Å	1.39Å	Aromatic
CAK	CAL	sing	1.51Å	1.39Å
CAK	CAJ	doub	1.38Å	1.39Å	Aromatic
CAL	NAM	sing	1.47Å	1.47Å
CAJ	CAI	sing	1.38Å	1.39Å	Aromatic
CAI	CAD	doub	1.39Å	1.39Å	Aromatic
CAD	CAC	sing	1.48Å	1.33Å
CAC	NAB	sing	1.32Å	1.34Å	Aromatic
CAC	CAH	doub	1.37Å	1.33Å	Aromatic
NAB	NAA	doub	1.28Å	1.14Å	Aromatic
NAA	SAG	sing	1.56Å	1.67Å	Aromatic
SAG	CAH	sing	1.72Å	1.70Å	Aromatic
CAE	H1	sing	1.08Å	1.08Å
CAF	H2	sing	1.08Å	1.08Å
CAL	H3	sing	1.09Å	1.10Å
CAL	H4	sing	1.09Å	1.10Å
NAM	H5	sing	1.01Å	1.00Å
NAM	H6	sing	1.01Å	1.00Å
CAJ	H8	sing	1.08Å	1.08Å
CAI	H9	sing	1.08Å	1.08Å
CAH	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAF	CAE	CAD	119.9°	119.9°
CAE	CAF	CAK	120.1°	120.1°
CAF	CAE	H1	120.1°	120.1°
CAE	CAF	H2	119.9°	119.9°
CAE	CAD	CAI	120.0°	119.8°
CAE	CAD	CAC	120.4°	120.1°
CAD	CAE	H1	120.0°	120.0°
CAF	CAK	CAL	119.9°	119.9°
CAF	CAK	CAJ	119.9°	120.3°
CAK	CAF	H2	119.9°	120.0°
CAL	CAK	CAJ	120.0°	119.9°
CAK	CAL	NAM	111.3°	109.5°
CAK	CAL	H3	109.0°	109.5°
CAK	CAL	H4	109.0°	109.5°
CAK	CAJ	CAI	120.0°	120.1°
CAK	CAJ	H8	120.0°	120.0°
NAM	CAL	H3	109.0°	109.4°
NAM	CAL	H4	109.0°	109.5°
CAL	NAM	H5	109.5°	111.0°
CAL	NAM	H6	109.4°	111.0°
CAJ	CAI	CAD	120.1°	119.8°
CAI	CAJ	H8	120.0°	119.9°
CAJ	CAI	H9	120.0°	120.1°
CAI	CAD	CAC	119.5°	120.1°
CAD	CAI	H9	120.0°	120.1°
CAD	CAC	NAB	121.5°	124.0°
CAD	CAC	CAH	122.2°	123.9°
NAB	CAC	CAH	116.3°	112.1°
CAC	NAB	NAA	118.0°	118.2°
CAC	CAH	SAG	101.9°	104.1°
CAC	CAH	H11	129.1°	128.0°
NAB	NAA	SAG	109.7°	109.5°
NAA	SAG	CAH	94.1°	96.1°
SAG	CAH	H11	129.1°	127.9°
H3	CAL	H4	109.5°	109.4°
H5	NAM	H6	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAF	CAE	CAD	H1	180.0°	179.7°
CAE	CAF	CAK	H2	180.0°	180.0°
CAE	CAF	CAK	CAL	173.6°	180.0°
CAE	CAF	CAK	CAJ	1.3°	0.1°
CAF	CAE	CAD	CAI	0.1°	0.0°
CAF	CAE	CAD	CAC	175.6°	180.0°
CAD	CAE	CAF	CAK	0.7°	0.0°
CAE	CAD	CAI	CAJ	0.4°	0.0°
CAE	CAD	CAI	CAC	175.7°	180.0°
CAE	CAD	CAC	NAB	168.1°	0.0°
CAE	CAD	CAC	CAH	8.5°	179.7°
CAD	CAE	CAF	H2	179.2°	180.0°
CAE	CAD	CAI	H9	179.6°	180.0°
CAF	CAK	CAL	CAJ	174.8°	179.9°
CAF	CAK	CAL	NAM	151.7°	90.0°
CAF	CAK	CAJ	CAI	0.9°	0.1°
CAK	CAF	CAE	H1	179.3°	179.7°
CAF	CAK	CAL	H3	88.0°	150.0°
CAF	CAK	CAL	H4	31.5°	30.0°
CAF	CAK	CAJ	H8	179.0°	180.0°
CAK	CAL	NAM	H3	120.3°	120.0°
CAK	CAL	NAM	H4	120.3°	120.0°
CAL	CAK	CAJ	CAI	173.9°	180.0°
CAL	CAK	CAF	H2	6.4°	0.0°
CAK	CAL	H3	H4	119.2°	120.0°
CAK	CAL	NAM	H5	180.0°	180.0°
CAK	CAL	NAM	H6	60.0°	56.1°
CAL	CAK	CAJ	H8	6.1°	0.0°
CAJ	CAK	CAL	NAM	23.1°	89.9°
CAK	CAJ	CAI	H8	180.0°	180.0°
CAK	CAJ	CAI	CAD	0.1°	0.0°
CAJ	CAK	CAF	H2	178.7°	180.0°
CAJ	CAK	CAL	H3	97.2°	30.1°
CAJ	CAK	CAL	H4	143.3°	150.0°
CAK	CAJ	CAI	H9	179.9°	179.9°
NAM	CAL	H3	H4	119.2°	120.0°
CAL	NAM	H5	H6	120.0°	123.9°
CAJ	CAI	CAD	H9	180.0°	180.0°
CAJ	CAI	CAD	CAC	175.4°	180.0°
CAI	CAD	CAC	NAB	16.2°	180.0°
CAI	CAD	CAC	CAH	167.3°	0.3°
CAI	CAD	CAE	H1	179.9°	179.7°
CAD	CAI	CAJ	H8	179.9°	180.0°
CAD	CAC	NAB	CAH	176.7°	179.8°
CAD	CAC	NAB	NAA	177.4°	180.0°
CAD	CAC	CAH	SAG	177.6°	179.9°
CAC	CAD	CAE	H1	4.4°	0.3°
CAC	CAD	CAI	H9	4.7°	0.1°
CAD	CAC	CAH	H11	2.4°	0.0°
CAC	NAB	NAA	SAG	0.0°	0.0°
NAB	CAC	CAH	SAG	0.9°	0.4°
NAB	CAC	CAH	H11	179.1°	179.8°
CAH	CAC	NAB	NAA	0.6°	0.3°
CAC	CAH	SAG	NAA	0.8°	0.3°
CAC	CAH	SAG	H11	180.0°	179.9°
NAB	NAA	SAG	CAH	0.5°	0.2°
NAA	SAG	CAH	H11	179.2°	179.8°
H1	CAE	CAF	H2	0.8°	0.3°
H3	CAL	NAM	H5	59.7°	60.0°
H3	CAL	NAM	H6	179.7°	176.1°
H4	CAL	NAM	H5	59.7°	60.0°
H4	CAL	NAM	H6	60.3°	64.0°
H8	CAJ	CAI	H9	0.1°	0.1°

Release date:	2014-06-04
Definition date:	2014-01-08
Last modified:	2014-05-30
Release status:	REL
Processing site:	RCSB
Derived from:	4NYB