YL3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAV	PAS	doub	1.48Å	1.49Å
PAS	OAU	sing	1.61Å	1.53Å
PAS	CAR	sing	1.82Å	1.71Å
PAS	OAT	sing	1.61Å	1.65Å
CAR	NAJ	sing	1.46Å	1.47Å
NAJ	C4	sing	1.38Å	1.31Å
CAQ	CAN	sing	1.51Å	1.42Å
CAO	CAN	doub	1.38Å	1.39Å	Aromatic
CAO	CAP	sing	1.38Å	1.40Å	Aromatic
CAC	C5	sing	1.45Å	1.40Å	Aromatic
CAC	CAD	doub	1.33Å	1.37Å	Aromatic
C4	C5	doub	1.42Å	1.36Å	Aromatic
C4	N3	sing	1.32Å	1.35Å	Aromatic
CAN	CAM	sing	1.38Å	1.39Å	Aromatic
CAP	CAK	doub	1.40Å	1.41Å	Aromatic
CAM	CAL	doub	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.35Å	Aromatic
CAK	CAL	sing	1.39Å	1.42Å	Aromatic
CAK	CAD	sing	1.48Å	1.41Å
N3	C2	doub	1.32Å	1.38Å	Aromatic
CAD	SAE	sing	1.75Å	1.71Å	Aromatic
C6	SAE	sing	1.76Å	1.58Å	Aromatic
C6	N1	doub	1.34Å	1.36Å	Aromatic
C2	N1	sing	1.31Å	1.39Å	Aromatic
OAT	H1	sing	0.97Å	0.95Å
OAU	H2	sing	0.97Å	0.95Å
CAR	H3	sing	1.09Å	1.10Å
CAR	H4	sing	1.09Å	1.10Å
NAJ	H5	sing	0.97Å	1.00Å
C2	H6	sing	1.08Å	1.08Å
CAC	H7	sing	1.08Å	1.08Å
CAL	H8	sing	1.08Å	1.08Å
CAM	H9	sing	1.08Å	1.08Å
CAQ	H10	sing	1.09Å	1.10Å
CAQ	H11	sing	1.09Å	1.10Å
CAQ	H12	sing	1.09Å	1.10Å
CAO	H13	sing	1.08Å	1.08Å
CAP	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAV	PAS	OAU	121.8°	109.5°
OAV	PAS	CAR	102.5°	109.4°
OAV	PAS	OAT	111.6°	109.4°
OAU	PAS	CAR	109.5°	109.5°
OAU	PAS	OAT	108.5°	109.5°
PAS	OAU	H2	109.5°	114.0°
CAR	PAS	OAT	100.6°	109.5°
PAS	CAR	NAJ	99.3°	109.5°
PAS	CAR	H3	112.0°	109.5°
PAS	CAR	H4	112.0°	109.5°
PAS	OAT	H1	109.5°	114.0°
CAR	NAJ	C4	120.5°	120.0°
NAJ	CAR	H3	112.0°	109.5°
NAJ	CAR	H4	111.9°	109.5°
CAR	NAJ	H5	106.6°	120.0°
NAJ	C4	C5	117.9°	120.5°
NAJ	C4	N3	116.4°	120.5°
C4	NAJ	H5	106.6°	120.0°
CAQ	CAN	CAO	120.6°	119.9°
CAQ	CAN	CAM	122.2°	119.8°
CAN	CAQ	H10	109.5°	109.5°
CAN	CAQ	H11	109.5°	109.5°
CAN	CAQ	H12	109.5°	109.5°
CAN	CAO	CAP	120.8°	120.2°
CAO	CAN	CAM	117.2°	120.3°
CAN	CAO	H13	119.6°	119.9°
CAO	CAP	CAK	124.2°	119.8°
CAP	CAO	H13	119.6°	119.9°
CAO	CAP	H14	117.9°	120.1°
C5	CAC	CAD	115.4°	114.6°
CAC	C5	C4	131.9°	130.4°
CAC	C5	C6	114.0°	112.1°
C5	CAC	H7	122.3°	122.6°
CAC	CAD	CAK	133.0°	124.4°
CAC	CAD	SAE	102.0°	111.2°
CAD	CAC	H7	122.3°	122.7°
C5	C4	N3	125.7°	119.0°
C4	C5	C6	114.0°	117.5°
C4	N3	C2	119.4°	121.2°
CAN	CAM	CAL	121.5°	120.1°
CAN	CAM	H9	119.3°	119.9°
CAP	CAK	CAL	113.6°	119.7°
CAP	CAK	CAD	120.0°	120.1°
CAK	CAP	H14	117.9°	120.0°
CAM	CAL	CAK	122.5°	119.9°
CAM	CAL	H8	118.7°	120.0°
CAL	CAM	H9	119.2°	119.9°
C5	C6	SAE	107.6°	109.7°
C5	C6	N1	123.8°	119.1°
CAL	CAK	CAD	126.4°	120.2°
CAK	CAL	H8	118.8°	120.1°
CAK	CAD	SAE	125.0°	124.3°
N3	C2	N1	116.1°	122.2°
N3	C2	H6	121.9°	118.9°
CAD	SAE	C6	100.9°	92.2°
SAE	C6	N1	128.6°	131.2°
C6	N1	C2	120.9°	121.1°
N1	C2	H6	122.0°	118.9°
H3	CAR	H4	109.4°	109.4°
H10	CAQ	H11	109.5°	109.4°
H10	CAQ	H12	109.5°	109.5°
H11	CAQ	H12	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAV	PAS	OAU	CAR	119.4°	120.0°
OAV	PAS	OAU	OAT	131.7°	120.0°
OAV	PAS	CAR	OAT	115.2°	119.9°
OAV	PAS	CAR	NAJ	149.6°	55.0°
OAV	PAS	OAT	H1	0.0°	180.0°
OAV	PAS	OAU	H2	0.0°	60.0°
OAV	PAS	CAR	H3	31.3°	175.0°
OAV	PAS	CAR	H4	92.1°	65.1°
OAU	PAS	CAR	OAT	114.1°	120.0°
OAU	PAS	CAR	NAJ	19.0°	175.0°
OAU	PAS	OAT	H1	136.9°	60.0°
OAU	PAS	CAR	H3	99.4°	65.0°
OAU	PAS	CAR	H4	137.3°	55.0°
PAS	CAR	NAJ	H3	118.3°	120.0°
PAS	CAR	NAJ	H4	118.3°	120.0°
PAS	CAR	NAJ	C4	148.5°	95.0°
CAR	PAS	OAT	H1	108.2°	60.0°
CAR	PAS	OAU	H2	119.4°	179.9°
PAS	CAR	H3	H4	124.8°	120.0°
PAS	CAR	NAJ	H5	89.9°	85.1°
OAT	PAS	CAR	NAJ	95.2°	65.0°
OAT	PAS	OAU	H2	131.7°	60.0°
OAT	PAS	CAR	H3	146.5°	55.1°
OAT	PAS	CAR	H4	23.2°	175.0°
CAR	NAJ	C4	H5	121.5°	179.9°
CAR	NAJ	C4	C5	133.7°	180.0°
CAR	NAJ	C4	N3	46.7°	0.3°
NAJ	CAR	H3	H4	124.7°	120.0°
NAJ	C4	C5	CAC	0.0°	0.1°
NAJ	C4	C5	N3	179.5°	179.7°
NAJ	C4	C5	C6	179.0°	179.8°
NAJ	C4	N3	C2	179.2°	180.0°
C4	NAJ	CAR	H3	30.2°	25.0°
C4	NAJ	CAR	H4	93.1°	144.9°
CAQ	CAN	CAO	CAM	179.6°	180.0°
CAQ	CAN	CAO	CAP	178.0°	179.8°
CAQ	CAN	CAM	CAL	177.9°	180.0°
CAQ	CAN	CAM	H9	2.1°	0.0°
CAN	CAQ	H10	H11	120.0°	120.0°
CAN	CAQ	H10	H12	120.0°	120.0°
CAN	CAQ	H11	H12	120.0°	120.0°
CAQ	CAN	CAO	H13	2.0°	0.0°
CAN	CAO	CAP	H13	180.0°	179.8°
CAN	CAO	CAP	CAK	2.0°	0.5°
CAO	CAN	CAM	CAL	1.7°	0.0°
CAO	CAN	CAM	H9	178.3°	179.9°
CAO	CAN	CAQ	H10	89.8°	90.0°
CAO	CAN	CAQ	H11	150.2°	30.0°
CAO	CAN	CAQ	H12	30.2°	150.0°
CAN	CAO	CAP	H14	178.0°	179.9°
CAP	CAO	CAN	CAM	1.6°	0.2°
CAO	CAP	CAK	H14	180.0°	179.6°
CAO	CAP	CAK	CAL	2.1°	0.5°
CAO	CAP	CAK	CAD	178.3°	179.8°
C5	CAC	CAD	H7	180.0°	179.4°
CAC	C5	C4	C6	179.1°	179.7°
CAC	C5	C4	N3	179.5°	179.8°
C5	CAC	CAD	CAK	179.2°	180.0°
C5	CAC	CAD	SAE	0.2°	0.6°
CAC	C5	C6	SAE	0.3°	0.1°
CAC	C5	C6	N1	179.9°	179.8°
CAD	CAC	C5	C4	179.0°	179.3°
CAC	CAD	CAK	CAP	160.2°	0.3°
CAD	CAC	C5	C6	0.0°	0.5°
CAC	CAD	CAK	CAL	20.3°	180.0°
CAC	CAD	CAK	SAE	179.3°	179.3°
CAC	CAD	SAE	C6	0.3°	0.5°
C5	C4	N3	C2	0.3°	0.2°
C4	C5	C6	SAE	179.0°	179.7°
C4	C5	C6	N1	0.6°	0.5°
C5	C4	NAJ	H5	104.7°	0.1°
C4	C5	CAC	H7	1.0°	0.1°
N3	C4	C5	C6	0.5°	0.5°
C4	N3	C2	N1	0.2°	0.0°
N3	C4	NAJ	H5	74.8°	179.7°
C4	N3	C2	H6	179.8°	180.0°
CAN	CAM	CAL	H9	180.0°	179.9°
CAN	CAM	CAL	CAK	2.1°	0.0°
CAN	CAM	CAL	H8	178.0°	180.0°
CAM	CAN	CAQ	H10	89.8°	90.0°
CAM	CAN	CAQ	H11	30.2°	150.0°
CAM	CAN	CAQ	H12	150.2°	30.0°
CAM	CAN	CAO	H13	178.4°	180.0°
CAP	CAK	CAL	CAM	2.1°	0.2°
CAP	CAK	CAL	CAD	179.5°	179.7°
CAP	CAK	CAD	SAE	19.1°	179.0°
CAP	CAK	CAL	H8	177.9°	179.8°
CAK	CAP	CAO	H13	178.0°	179.7°
CAM	CAL	CAK	H8	180.0°	180.0°
CAM	CAL	CAK	CAD	178.3°	180.0°
C5	C6	SAE	CAD	0.4°	0.2°
C5	C6	SAE	N1	179.6°	179.8°
C5	C6	N1	C2	0.6°	0.2°
C6	C5	CAC	H7	179.9°	179.8°
CAL	CAK	CAD	SAE	160.4°	0.7°
CAK	CAL	CAM	H9	178.0°	179.9°
CAL	CAK	CAP	H14	177.9°	179.9°
CAK	CAD	SAE	C6	179.1°	179.9°
CAK	CAD	CAC	H7	0.8°	0.6°
CAD	CAK	CAL	H8	1.6°	0.1°
CAD	CAK	CAP	H14	1.7°	0.2°
N3	C2	N1	C6	0.4°	0.0°
N3	C2	N1	H6	180.0°	180.0°
CAD	SAE	C6	N1	179.9°	180.0°
SAE	CAD	CAC	H7	179.8°	180.0°
SAE	C6	N1	C2	178.9°	180.0°
C6	N1	C2	H6	179.6°	180.0°
H3	CAR	NAJ	H5	151.8°	154.9°
H4	CAR	NAJ	H5	28.4°	35.0°
H8	CAL	CAM	H9	2.0°	0.0°
H10	CAQ	H11	H12	120.0°	120.0°
H13	CAO	CAP	H14	2.0°	0.2°

Release date:	2014-06-25
Definition date:	2013-07-18
Last modified:	2014-06-20
Release status:	REL
Processing site:	RCSB
Derived from:	4LPH