4WT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAD	CAC	doub	1.38Å	1.41Å	Aromatic
CAD	CAF	sing	1.38Å	1.39Å	Aromatic
CAC	CAE	sing	1.38Å	1.40Å	Aromatic
CAF	CAK	doub	1.39Å	1.41Å	Aromatic
CAE	CAJ	doub	1.39Å	1.41Å	Aromatic
CAB	CAL	sing	1.53Å	1.56Å
CAK	CAJ	sing	1.38Å	1.42Å	Aromatic
CAK	CAL	sing	1.51Å	1.42Å
CAJ	CAG	sing	1.51Å	1.43Å
CAL	CAA	sing	1.53Å	1.54Å
CAL	CAH	sing	1.53Å	1.53Å
CAG	NAI	sing	1.47Å	1.49Å
CAH	NAI	sing	1.47Å	1.47Å
CAH	H1	sing	1.09Å	1.10Å
CAH	H2	sing	1.09Å	1.10Å
NAI	H3	sing	1.01Å	1.00Å
CAG	H5	sing	1.09Å	1.10Å
CAG	H6	sing	1.09Å	1.10Å
CAE	H7	sing	1.08Å	1.08Å
CAC	H8	sing	1.08Å	1.08Å
CAD	H9	sing	1.08Å	1.08Å
CAF	H10	sing	1.08Å	1.08Å
CAB	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
CAA	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAD	CAF	119.3°	119.8°
CAD	CAC	CAE	119.7°	119.8°
CAD	CAC	H8	120.1°	120.1°
CAC	CAD	H9	120.3°	120.1°
CAD	CAF	CAK	121.7°	120.4°
CAF	CAD	H9	120.4°	120.1°
CAD	CAF	H10	119.1°	119.8°
CAC	CAE	CAJ	121.2°	120.4°
CAC	CAE	H7	119.4°	119.8°
CAE	CAC	H8	120.1°	120.1°
CAF	CAK	CAJ	118.9°	119.8°
CAF	CAK	CAL	118.7°	118.5°
CAK	CAF	H10	119.1°	119.8°
CAE	CAJ	CAK	119.1°	119.7°
CAE	CAJ	CAG	118.7°	118.5°
CAJ	CAE	H7	119.4°	119.8°
CAB	CAL	CAK	109.6°	109.4°
CAB	CAL	CAA	108.8°	109.4°
CAB	CAL	CAH	109.4°	109.3°
CAL	CAB	H11	109.5°	109.5°
CAL	CAB	H12	109.5°	109.5°
CAL	CAB	H13	109.5°	109.5°
CAJ	CAK	CAL	122.3°	121.7°
CAK	CAJ	CAG	122.2°	121.8°
CAK	CAL	CAA	108.9°	109.4°
CAK	CAL	CAH	112.3°	110.0°
CAJ	CAG	NAI	113.4°	110.5°
CAJ	CAG	H5	108.5°	109.3°
CAJ	CAG	H6	108.5°	109.1°
CAA	CAL	CAH	107.8°	109.4°
CAL	CAA	H14	109.5°	109.4°
CAL	CAA	H15	109.5°	109.5°
CAL	CAA	H16	109.5°	109.5°
CAL	CAH	NAI	113.2°	108.5°
CAL	CAH	H1	108.5°	109.6°
CAL	CAH	H2	108.5°	109.8°
CAG	NAI	CAH	110.1°	110.3°
CAG	NAI	H3	109.3°	111.0°
NAI	CAG	H5	108.5°	109.3°
NAI	CAG	H6	108.5°	109.3°
NAI	CAH	H1	108.5°	109.6°
NAI	CAH	H2	108.5°	109.7°
CAH	NAI	H3	109.3°	111.0°
H1	CAH	H2	109.5°	109.6°
H5	CAG	H6	109.5°	109.3°
H11	CAB	H12	109.5°	109.4°
H11	CAB	H13	109.4°	109.5°
H12	CAB	H13	109.5°	109.5°
H14	CAA	H15	109.5°	109.6°
H14	CAA	H16	109.5°	109.4°
H15	CAA	H16	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAD	CAF	H9	180.0°	180.0°
CAD	CAC	CAE	H8	180.0°	179.9°
CAC	CAD	CAF	CAK	0.5°	0.1°
CAD	CAC	CAE	CAJ	1.2°	0.0°
CAD	CAC	CAE	H7	178.8°	180.0°
CAC	CAD	CAF	H10	179.5°	180.0°
CAF	CAD	CAC	CAE	0.7°	0.0°
CAD	CAF	CAK	H10	180.0°	179.9°
CAD	CAF	CAK	CAJ	1.2°	0.2°
CAD	CAF	CAK	CAL	179.8°	179.6°
CAF	CAD	CAC	H8	179.3°	179.9°
CAC	CAE	CAJ	H7	180.0°	180.0°
CAC	CAE	CAJ	CAK	0.4°	0.2°
CAC	CAE	CAJ	CAG	179.5°	179.8°
CAE	CAC	CAD	H9	179.3°	180.0°
CAF	CAK	CAJ	CAE	0.8°	0.3°
CAF	CAK	CAL	CAB	47.7°	43.2°
CAF	CAK	CAJ	CAL	178.5°	179.8°
CAF	CAK	CAJ	CAG	179.3°	179.7°
CAF	CAK	CAL	CAA	71.2°	76.6°
CAF	CAK	CAL	CAH	169.4°	163.3°
CAK	CAF	CAD	H9	179.5°	179.9°
CAE	CAJ	CAK	CAG	179.9°	180.0°
CAE	CAJ	CAK	CAL	179.3°	179.5°
CAE	CAJ	CAG	NAI	161.7°	162.5°
CAE	CAJ	CAG	H5	77.7°	42.1°
CAE	CAJ	CAG	H6	41.1°	77.3°
CAJ	CAE	CAC	H8	178.8°	180.0°
CAB	CAL	CAK	CAJ	133.8°	137.0°
CAB	CAL	CAK	CAA	118.9°	119.8°
CAB	CAL	CAK	CAH	121.7°	120.0°
CAB	CAL	CAA	CAH	118.5°	119.7°
CAB	CAL	CAH	NAI	163.8°	170.5°
CAB	CAL	CAH	H1	75.6°	50.8°
CAB	CAL	CAH	H2	43.3°	69.7°
CAL	CAB	H11	H12	120.0°	120.0°
CAL	CAB	H11	H13	120.0°	120.0°
CAL	CAB	H12	H13	120.0°	120.0°
CAB	CAL	CAA	H14	180.0°	59.9°
CAB	CAL	CAA	H15	60.0°	60.2°
CAB	CAL	CAA	H16	60.0°	179.8°
CAJ	CAK	CAL	CAA	107.3°	103.2°
CAJ	CAK	CAL	CAH	12.0°	16.9°
CAK	CAJ	CAG	NAI	18.4°	17.5°
CAK	CAJ	CAG	H5	102.2°	137.9°
CAK	CAJ	CAG	H6	139.0°	102.7°
CAK	CAJ	CAE	H7	179.6°	179.8°
CAJ	CAK	CAF	H10	178.7°	179.8°
CAL	CAK	CAJ	CAG	0.8°	0.5°
CAK	CAL	CAA	CAH	122.1°	120.5°
CAK	CAL	CAH	NAI	42.0°	50.4°
CAK	CAL	CAH	H1	162.5°	69.3°
CAK	CAL	CAH	H2	78.6°	170.2°
CAL	CAK	CAF	H10	0.2°	0.4°
CAK	CAL	CAB	H11	180.0°	60.0°
CAK	CAL	CAB	H12	60.0°	179.9°
CAK	CAL	CAB	H13	60.0°	60.0°
CAK	CAL	CAA	H14	60.6°	60.0°
CAK	CAL	CAA	H15	59.4°	180.0°
CAK	CAL	CAA	H16	179.4°	60.0°
CAJ	CAG	NAI	H5	120.6°	120.3°
CAJ	CAG	NAI	H6	120.6°	120.1°
CAJ	CAG	NAI	CAH	46.9°	52.5°
CAJ	CAG	NAI	H3	167.0°	176.0°
CAJ	CAG	H5	H6	118.2°	119.3°
CAG	CAJ	CAE	H7	0.5°	0.2°
CAA	CAL	CAH	NAI	78.0°	69.8°
CAA	CAL	CAH	H1	42.5°	170.6°
CAA	CAL	CAH	H2	161.4°	50.0°
CAA	CAL	CAB	H11	61.0°	179.9°
CAA	CAL	CAB	H12	59.0°	60.2°
CAA	CAL	CAB	H13	179.0°	59.8°
CAL	CAA	H14	H15	120.0°	120.0°
CAL	CAA	H14	H16	120.0°	119.9°
CAL	CAA	H15	H16	120.0°	120.0°
CAL	CAH	NAI	CAG	59.9°	71.2°
CAL	CAH	NAI	H1	120.5°	119.6°
CAL	CAH	NAI	H2	120.5°	120.0°
CAL	CAH	H1	H2	118.3°	120.6°
CAL	CAH	NAI	H3	180.0°	165.3°
CAH	CAL	CAB	H11	56.6°	60.4°
CAH	CAL	CAB	H12	176.6°	59.5°
CAH	CAL	CAB	H13	63.4°	179.5°
CAH	CAL	CAA	H14	61.5°	179.5°
CAH	CAL	CAA	H15	178.5°	59.5°
CAH	CAL	CAA	H16	58.5°	60.5°
CAG	NAI	CAH	H3	120.1°	123.4°
CAG	NAI	CAH	H1	179.6°	48.4°
CAG	NAI	CAH	H2	60.6°	168.8°
NAI	CAG	H5	H6	118.2°	119.6°
NAI	CAH	H1	H2	118.3°	120.4°
CAH	NAI	CAG	H5	73.7°	172.8°
CAH	NAI	CAG	H6	167.5°	67.6°
H1	CAH	NAI	H3	59.4°	75.0°
H2	CAH	NAI	H3	59.5°	45.4°
H3	NAI	CAG	H5	46.4°	63.7°
H3	NAI	CAG	H6	72.4°	55.9°
H7	CAE	CAC	H8	1.2°	0.0°
H8	CAC	CAD	H9	0.7°	0.1°
H9	CAD	CAF	H10	0.5°	0.0°
H11	CAB	H12	H13	120.0°	120.0°
H14	CAA	H15	H16	120.0°	120.0°

Release date:	2016-06-29
Definition date:	2015-06-15
Last modified:	2016-06-24
Release status:	REL
Processing site:	RCSB
Derived from:	5BZC