63V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAR	CAQ	sing	1.38Å	1.46Å	Aromatic
CAR	CAS	doub	1.33Å	1.45Å	Aromatic
CAQ	CAP	doub	1.33Å	1.38Å	Aromatic
CAS	SAT	sing	1.76Å	1.74Å	Aromatic
CAP	CAN	sing	1.51Å	1.52Å
CAP	SAT	sing	1.76Å	1.70Å	Aromatic
CAN	CAM	sing	1.51Å	1.54Å
O	C	doub	1.21Å	1.23Å
N	CAM	sing	1.35Å	1.45Å
N	CA	sing	1.47Å	1.45Å
CAM	OAO	doub	1.21Å	1.21Å
OAU	CAK	doub	1.21Å	1.26Å
C	CA	sing	1.51Å	1.38Å
CAE	CAF	sing	1.52Å	1.44Å
CAE	CAJ	doub	1.33Å	1.53Å
CAE	CAD	sing	1.47Å	1.42Å
CAF	SAA	sing	1.82Å	1.83Å
CA	CB	sing	1.53Å	1.49Å
CAK	CAD	sing	1.49Å	1.49Å
CAK	OAV	sing	1.35Å	1.26Å
CB	NAC	sing	1.45Å	1.42Å
CB	SAA	sing	1.82Å	1.83Å
CAD	NAC	doub	1.27Å	1.38Å
OAV	H1	sing	0.97Å	0.95Å
CAJ	H6	sing	1.08Å	1.08Å
CAJ	H7	sing	1.08Å	1.08Å
CAF	H9	sing	1.09Å	1.10Å
CAF	H10	sing	1.09Å	1.10Å
CB	H11	sing	1.09Å	1.10Å
CA	H12	sing	1.09Å	1.10Å
C	H13	sing	1.08Å	1.08Å
N	H14	sing	0.97Å	1.00Å
CAN	H15	sing	1.09Å	1.10Å
CAN	H16	sing	1.09Å	1.10Å
CAS	H17	sing	1.08Å	1.08Å
CAR	H18	sing	1.08Å	1.08Å
CAQ	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAQ	CAR	CAS	112.2°	114.9°
CAR	CAQ	CAP	112.7°	114.9°
CAQ	CAR	H18	123.9°	122.5°
CAR	CAQ	H19	123.6°	122.6°
CAR	CAS	SAT	108.1°	109.6°
CAR	CAS	H17	126.0°	125.1°
CAS	CAR	H18	123.9°	122.6°
CAQ	CAP	CAN	124.4°	125.2°
CAQ	CAP	SAT	112.0°	109.6°
CAP	CAQ	H19	123.6°	122.5°
CAS	SAT	CAP	95.0°	91.0°
SAT	CAS	H17	126.0°	125.2°
CAN	CAP	SAT	123.6°	125.2°
CAP	CAN	CAM	106.5°	109.4°
CAP	CAN	H15	110.2°	109.5°
CAP	CAN	H16	110.2°	109.4°
CAN	CAM	N	118.6°	120.0°
CAN	CAM	OAO	119.4°	120.0°
CAM	CAN	H15	110.2°	109.5°
CAM	CAN	H16	110.2°	109.4°
O	C	CA	121.7°	120.0°
O	C	H13	119.1°	119.9°
CAM	N	CA	125.5°	120.0°
N	CAM	OAO	121.9°	120.0°
CAM	N	H14	117.2°	120.0°
N	CA	C	104.0°	109.5°
N	CA	CB	95.5°	109.5°
N	CA	H12	113.1°	109.4°
CA	N	H14	117.3°	119.9°
OAU	CAK	CAD	120.8°	120.0°
OAU	CAK	OAV	121.3°	120.0°
C	CA	CB	115.6°	109.5°
C	CA	H12	114.3°	109.5°
CA	C	H13	119.1°	120.0°
CAF	CAE	CAJ	108.8°	120.4°
CAF	CAE	CAD	119.6°	119.3°
CAE	CAF	SAA	116.5°	106.7°
CAE	CAF	H9	107.7°	110.1°
CAE	CAF	H10	107.7°	110.0°
CAJ	CAE	CAD	113.6°	120.3°
CAE	CAJ	H6	120.0°	120.0°
CAE	CAJ	H7	120.0°	120.0°
CAE	CAD	CAK	122.6°	116.9°
CAE	CAD	NAC	121.6°	126.3°
CAF	SAA	CB	84.6°	101.3°
SAA	CAF	H9	107.7°	110.0°
SAA	CAF	H10	107.7°	110.0°
CA	CB	NAC	117.1°	109.3°
CA	CB	SAA	120.0°	109.4°
CA	CB	H11	106.3°	109.2°
CB	CA	H12	112.5°	109.5°
CAD	CAK	OAV	117.9°	120.0°
CAK	CAD	NAC	114.8°	116.8°
CAK	OAV	H1	109.5°	117.0°
NAC	CB	SAA	101.8°	110.3°
CB	NAC	CAD	111.9°	127.7°
NAC	CB	H11	107.2°	109.3°
SAA	CB	H11	103.1°	109.3°
H6	CAJ	H7	120.0°	120.0°
H9	CAF	H10	109.5°	110.1°
H15	CAN	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAQ	CAR	CAS	H18	180.0°	179.6°
CAR	CAQ	CAP	H19	180.0°	179.6°
CAQ	CAR	CAS	SAT	0.0°	0.2°
CAR	CAQ	CAP	CAN	179.4°	179.8°
CAR	CAQ	CAP	SAT	0.1°	0.4°
CAQ	CAR	CAS	H17	179.9°	179.7°
CAS	CAR	CAQ	CAP	0.0°	0.4°
CAR	CAS	SAT	H17	180.0°	179.9°
CAR	CAS	SAT	CAP	0.0°	0.1°
CAS	CAR	CAQ	H19	180.0°	180.0°
CAQ	CAP	SAT	CAS	0.1°	0.3°
CAQ	CAP	CAN	SAT	179.3°	179.7°
CAQ	CAP	CAN	CAM	111.5°	89.8°
CAQ	CAP	CAN	H15	8.0°	30.3°
CAQ	CAP	CAN	H16	128.9°	150.3°
CAP	CAQ	CAR	H18	180.0°	180.0°
CAS	SAT	CAP	CAN	179.4°	180.0°
SAT	CAS	CAR	H18	180.0°	179.8°
CAP	CAN	CAM	H15	119.5°	120.0°
CAP	CAN	CAM	H16	119.5°	119.9°
CAP	CAN	CAM	N	77.4°	180.0°
CAP	CAN	CAM	OAO	100.7°	0.1°
CAP	CAN	H15	H16	121.4°	120.0°
CAN	CAP	CAQ	H19	0.6°	0.3°
SAT	CAP	CAN	CAM	67.7°	89.9°
SAT	CAP	CAN	H15	172.7°	150.0°
SAT	CAP	CAN	H16	51.8°	30.0°
CAP	SAT	CAS	H17	179.9°	180.0°
SAT	CAP	CAQ	H19	179.9°	180.0°
CAN	CAM	N	OAO	178.0°	180.0°
CAN	CAM	N	CA	179.6°	180.0°
CAN	CAM	N	H14	0.4°	0.0°
CAM	CAN	H15	H16	121.4°	120.0°
O	C	CA	N	54.8°	0.1°
O	C	CA	H13	180.0°	180.0°
O	C	CA	CB	48.5°	120.0°
O	C	CA	H12	178.6°	120.0°
CAM	N	CA	H14	180.0°	180.0°
CAM	N	CA	C	139.7°	85.0°
CAM	N	CA	CB	102.1°	155.0°
CAM	N	CA	H12	15.2°	35.0°
N	CAM	CAN	H15	42.2°	60.0°
N	CAM	CAN	H16	163.1°	60.1°
CA	N	CAM	OAO	1.6°	0.0°
N	CA	C	CB	103.3°	120.0°
N	CA	C	H12	123.7°	120.0°
N	CA	CB	H12	117.8°	120.0°
N	CA	CB	NAC	148.8°	65.0°
N	CA	CB	SAA	87.2°	174.1°
N	CA	CB	H11	29.1°	54.5°
N	CA	C	H13	125.2°	180.0°
OAO	CAM	N	H14	178.4°	180.0°
OAO	CAM	CAN	H15	139.8°	119.9°
OAO	CAM	CAN	H16	18.9°	120.0°
OAU	CAK	CAD	CAE	41.3°	6.5°
OAU	CAK	CAD	OAV	178.2°	179.7°
OAU	CAK	CAD	NAC	127.3°	173.2°
OAU	CAK	OAV	H1	0.0°	0.0°
C	CA	CB	H12	133.8°	120.0°
C	CA	CB	NAC	40.3°	55.0°
C	CA	CB	SAA	164.4°	65.9°
C	CA	CB	H11	79.3°	174.6°
C	CA	N	H14	40.3°	95.0°
CAF	CAE	CAJ	CAD	135.9°	179.9°
CAE	CAF	SAA	H9	121.0°	119.3°
CAE	CAF	SAA	H10	121.0°	119.2°
CAF	CAE	CAD	CAK	176.9°	167.4°
CAE	CAF	SAA	CB	50.0°	55.7°
CAF	CAE	CAD	NAC	15.2°	12.2°
CAF	CAE	CAJ	H6	135.9°	7.2°
CAF	CAE	CAJ	H7	44.1°	172.8°
CAE	CAF	H9	H10	116.8°	121.4°
CAJ	CAE	CAF	SAA	123.0°	138.0°
CAJ	CAE	CAD	CAK	46.2°	12.5°
CAJ	CAE	CAD	NAC	146.0°	167.8°
CAE	CAJ	H6	H7	180.0°	179.9°
CAJ	CAE	CAF	H9	116.0°	102.7°
CAJ	CAE	CAF	H10	1.9°	18.8°
CAD	CAE	CAF	SAA	9.9°	42.1°
CAE	CAD	CAK	NAC	168.6°	179.7°
CAE	CAD	CAK	OAV	140.5°	173.8°
CAE	CAD	NAC	CB	20.1°	0.8°
CAD	CAE	CAJ	H6	0.0°	172.8°
CAD	CAE	CAJ	H7	180.0°	7.3°
CAD	CAE	CAF	H9	111.1°	77.3°
CAD	CAE	CAF	H10	130.9°	161.3°
CAF	SAA	CB	CA	147.8°	167.6°
CAF	SAA	CB	NAC	81.2°	47.3°
SAA	CAF	H9	H10	116.8°	121.3°
CAF	SAA	CB	H11	29.8°	72.9°
CA	CB	NAC	SAA	132.9°	120.3°
CA	CB	NAC	H11	119.2°	119.5°
CA	CB	SAA	H11	117.9°	119.5°
CA	CB	NAC	CAD	152.4°	143.4°
CB	CA	C	H13	131.5°	60.0°
CB	CA	N	H14	77.9°	25.0°
CAK	CAD	NAC	CB	148.7°	178.9°
CAD	CAK	OAV	H1	178.2°	179.7°
OAV	CAK	CAD	NAC	50.9°	6.5°
NAC	CB	SAA	H11	111.0°	120.2°
NAC	CB	CA	H12	93.5°	175.0°
SAA	CB	NAC	CAD	74.7°	23.1°
CB	SAA	CAF	H9	71.1°	63.7°
CB	SAA	CAF	H10	171.0°	174.9°
SAA	CB	CA	H12	30.6°	54.1°
CAD	NAC	CB	H11	33.2°	97.1°
H11	CB	CA	H12	146.9°	65.4°
H12	CA	C	H13	1.5°	60.0°
H12	CA	N	H14	164.8°	145.0°
H17	CAS	CAR	H18	0.1°	0.1°
H18	CAR	CAQ	H19	0.0°	0.4°

Release date:	2016-12-14
Definition date:	2016-01-21
Last modified:	2016-12-09
Release status:	REL
Processing site:	RCSB
Derived from:	5HLD