DYZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAM	CAN	sing	1.53Å	1.50Å
CAM	N7	sing	1.46Å	1.44Å
C8	N7	sing	1.35Å	1.31Å	Aromatic
C8	N9	doub	1.31Å	1.33Å	Aromatic
N7	C5	sing	1.38Å	1.41Å	Aromatic
N9	C4	sing	1.34Å	1.32Å	Aromatic
C5	C6	sing	1.41Å	1.36Å
C5	C4	doub	1.39Å	1.30Å	Aromatic
O6	C6	doub	1.22Å	1.23Å
C6	N1	sing	1.35Å	1.46Å
C4	N3	sing	1.39Å	1.48Å
N1	C2	sing	1.34Å	1.40Å
N3	C2	sing	1.35Å	1.31Å
N3	CAK	sing	1.46Å	1.50Å
C2	O2	doub	1.22Å	1.23Å
CAK	CAL	sing	1.51Å	1.47Å
CAT	CAL	doub	1.38Å	1.44Å	Aromatic
CAT	CAS	sing	1.38Å	1.43Å	Aromatic
CAL	CAP	sing	1.38Å	1.42Å	Aromatic
CAS	CAR	doub	1.38Å	1.37Å	Aromatic
CAP	CAQ	doub	1.38Å	1.39Å	Aromatic
CAR	CAQ	sing	1.38Å	1.32Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
N1	H2	sing	0.97Å	1.00Å
CAN	H3	sing	1.09Å	1.10Å
CAN	H4	sing	1.09Å	1.10Å
CAN	H5	sing	1.09Å	1.10Å
CAM	H6	sing	1.09Å	1.10Å
CAM	H7	sing	1.09Å	1.10Å
CAK	H8	sing	1.09Å	1.10Å
CAK	H9	sing	1.09Å	1.10Å
CAP	H10	sing	1.08Å	1.08Å
CAQ	H11	sing	1.08Å	1.08Å
CAR	H12	sing	1.08Å	1.08Å
CAS	H13	sing	1.08Å	1.08Å
CAT	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAN	CAM	N7	111.8°	109.5°
CAM	CAN	H3	109.5°	109.4°
CAM	CAN	H4	109.5°	109.5°
CAM	CAN	H5	109.5°	109.4°
CAN	CAM	H6	108.9°	109.5°
CAN	CAM	H7	108.9°	109.5°
CAM	N7	C8	125.7°	126.5°
CAM	N7	C5	126.7°	126.5°
N7	CAM	H6	108.9°	109.5°
N7	CAM	H7	108.9°	109.4°
N7	C8	N9	112.5°	109.7°
C8	N7	C5	107.0°	107.0°
N7	C8	H1	123.8°	125.2°
C8	N9	C4	101.5°	109.8°
N9	C8	H1	123.7°	125.1°
N7	C5	C6	131.1°	134.6°
N7	C5	C4	101.6°	106.2°
N9	C4	C5	117.3°	107.2°
N9	C4	N3	123.1°	133.9°
C6	C5	C4	127.2°	119.2°
C5	C6	O6	134.2°	120.4°
C5	C6	N1	112.6°	119.2°
C5	C4	N3	119.7°	118.9°
O6	C6	N1	113.0°	120.4°
C6	N1	C2	122.0°	121.0°
C6	N1	H2	119.0°	119.5°
C4	N3	C2	117.1°	120.1°
C4	N3	CAK	118.1°	119.9°
N1	C2	N3	121.3°	121.7°
N1	C2	O2	118.4°	119.1°
C2	N1	H2	119.0°	119.5°
C2	N3	CAK	124.2°	120.0°
N3	C2	O2	120.3°	119.2°
N3	CAK	CAL	110.4°	109.5°
N3	CAK	H8	109.2°	109.5°
N3	CAK	H9	109.2°	109.5°
CAK	CAL	CAT	123.1°	120.0°
CAK	CAL	CAP	122.5°	120.0°
CAL	CAK	H8	109.2°	109.5°
CAL	CAK	H9	109.3°	109.5°
CAL	CAT	CAS	116.4°	120.0°
CAT	CAL	CAP	114.4°	120.0°
CAL	CAT	H14	121.8°	120.0°
CAT	CAS	CAR	127.6°	120.0°
CAT	CAS	H13	116.2°	120.0°
CAS	CAT	H14	121.8°	120.0°
CAL	CAP	CAQ	123.2°	120.0°
CAL	CAP	H10	118.4°	120.0°
CAS	CAR	CAQ	113.9°	120.0°
CAS	CAR	H12	123.1°	120.0°
CAR	CAS	H13	116.2°	120.0°
CAP	CAQ	CAR	124.2°	120.0°
CAQ	CAP	H10	118.4°	120.0°
CAP	CAQ	H11	117.9°	120.0°
CAR	CAQ	H11	117.9°	120.0°
CAQ	CAR	H12	123.1°	120.1°
H3	CAN	H4	109.5°	109.5°
H3	CAN	H5	109.5°	109.5°
H4	CAN	H5	109.4°	109.5°
H6	CAM	H7	109.5°	109.5°
H8	CAK	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAN	CAM	N7	H6	120.4°	120.0°
CAN	CAM	N7	H7	120.3°	120.0°
CAN	CAM	N7	C8	98.5°	94.9°
CAN	CAM	N7	C5	71.8°	84.6°
CAM	CAN	H3	H4	120.0°	120.0°
CAM	CAN	H3	H5	120.0°	119.9°
CAM	CAN	H4	H5	120.0°	120.0°
CAN	CAM	H6	H7	118.9°	120.0°
CAM	N7	C8	C5	171.9°	179.6°
CAM	N7	C8	N9	170.4°	179.9°
CAM	N7	C5	C6	11.5°	0.3°
CAM	N7	C5	C4	172.1°	179.7°
CAM	N7	C8	H1	9.6°	0.2°
N7	CAM	CAN	H3	180.0°	180.0°
N7	CAM	CAN	H4	60.0°	60.0°
N7	CAM	CAN	H5	60.0°	60.0°
N7	CAM	H6	H7	118.9°	119.9°
N7	C8	N9	H1	180.0°	179.9°
N7	C8	N9	C4	2.6°	0.4°
C8	N7	C5	C6	176.7°	179.9°
C8	N7	C5	C4	0.4°	0.1°
C8	N7	CAM	H6	141.2°	145.0°
C8	N7	CAM	H7	21.9°	25.1°
N9	C8	N7	C5	1.5°	0.3°
C8	N9	C4	C5	3.1°	0.4°
C8	N9	C4	N3	176.9°	179.9°
N7	C5	C4	N9	2.2°	0.2°
N7	C5	C6	C4	175.5°	180.0°
N7	C5	C6	O6	7.4°	0.0°
N7	C5	C6	N1	178.4°	180.0°
N7	C5	C4	N3	177.7°	180.0°
C5	N7	C8	H1	178.5°	179.8°
C5	N7	CAM	H6	48.5°	35.4°
C5	N7	CAM	H7	167.8°	155.3°
N9	C4	C5	C6	178.7°	179.8°
N9	C4	C5	N3	180.0°	179.8°
N9	C4	N3	C2	178.8°	179.8°
N9	C4	N3	CAK	7.1°	0.3°
C4	N9	C8	H1	177.4°	179.7°
C5	C6	O6	N1	174.3°	180.0°
C6	C5	C4	N3	1.2°	0.0°
C5	C6	N1	C2	2.4°	0.0°
C5	C6	N1	H2	177.6°	180.0°
C4	C5	C6	O6	177.2°	180.0°
C4	C5	C6	N1	2.9°	0.0°
C5	C4	N3	C2	1.2°	0.1°
C5	C4	N3	CAK	172.9°	180.0°
O6	C6	N1	C2	177.9°	180.0°
O6	C6	N1	H2	2.0°	0.0°
C6	N1	C2	H2	180.0°	179.9°
C6	N1	C2	N3	0.3°	0.1°
C6	N1	C2	O2	179.7°	180.0°
C4	N3	C2	N1	1.5°	0.1°
C4	N3	C2	CAK	171.2°	179.9°
C4	N3	C2	O2	177.8°	180.0°
C4	N3	CAK	CAL	78.9°	90.0°
C4	N3	CAK	H8	161.0°	150.0°
C4	N3	CAK	H9	41.3°	30.0°
N1	C2	N3	O2	179.4°	179.9°
N1	C2	N3	CAK	172.7°	180.0°
C2	N3	CAK	CAL	92.2°	89.9°
N3	C2	N1	H2	179.7°	180.0°
C2	N3	CAK	H8	27.9°	30.1°
C2	N3	CAK	H9	147.6°	150.1°
CAK	N3	C2	O2	6.7°	0.1°
N3	CAK	CAL	H8	120.1°	120.0°
N3	CAK	CAL	H9	120.1°	120.0°
N3	CAK	CAL	CAT	106.6°	90.3°
N3	CAK	CAL	CAP	76.4°	90.0°
N3	CAK	H8	H9	119.5°	120.0°
O2	C2	N1	H2	0.3°	0.1°
CAK	CAL	CAT	CAP	177.3°	179.7°
CAK	CAL	CAT	CAS	179.6°	179.7°
CAK	CAL	CAP	CAQ	179.7°	180.0°
CAL	CAK	H8	H9	119.6°	120.0°
CAK	CAL	CAP	H10	0.3°	0.1°
CAK	CAL	CAT	H14	0.4°	0.0°
CAL	CAT	CAS	H14	180.0°	179.8°
CAL	CAT	CAS	CAR	2.5°	0.5°
CAT	CAL	CAP	CAQ	2.4°	0.3°
CAT	CAL	CAK	H8	133.3°	149.7°
CAT	CAL	CAK	H9	13.6°	29.7°
CAT	CAL	CAP	H10	177.6°	179.8°
CAL	CAT	CAS	H13	177.4°	179.7°
CAS	CAT	CAL	CAP	2.3°	0.6°
CAT	CAS	CAR	H13	180.0°	179.7°
CAT	CAS	CAR	CAQ	7.1°	0.2°
CAT	CAS	CAR	H12	172.9°	179.7°
CAL	CAP	CAQ	H10	180.0°	179.9°
CAL	CAP	CAQ	CAR	2.6°	0.0°
CAP	CAL	CAK	H8	43.8°	30.0°
CAP	CAL	CAK	H9	163.5°	150.0°
CAL	CAP	CAQ	H11	177.4°	179.9°
CAP	CAL	CAT	H14	177.7°	179.7°
CAS	CAR	CAQ	CAP	6.9°	0.0°
CAS	CAR	CAQ	H12	180.0°	180.0°
CAS	CAR	CAQ	H11	173.1°	180.0°
CAR	CAS	CAT	H14	177.5°	179.7°
CAP	CAQ	CAR	H11	180.0°	179.9°
CAP	CAQ	CAR	H12	173.1°	180.0°
CAR	CAQ	CAP	H10	177.4°	179.9°
CAQ	CAR	CAS	H13	172.9°	180.0°
H3	CAN	H4	H5	120.0°	120.0°
H3	CAN	CAM	H6	59.7°	60.0°
H3	CAN	CAM	H7	59.6°	60.0°
H4	CAN	CAM	H6	60.4°	60.0°
H4	CAN	CAM	H7	179.7°	180.0°
H5	CAN	CAM	H6	179.7°	179.9°
H5	CAN	CAM	H7	60.4°	59.9°
H10	CAP	CAQ	H11	2.5°	0.0°
H11	CAQ	CAR	H12	6.9°	0.1°
H12	CAR	CAS	H13	7.1°	0.0°
H13	CAS	CAT	H14	2.5°	0.0°

Release date:	2018-06-20
Definition date:	2018-02-05
Last modified:	2018-06-15
Release status:	REL
Processing site:	EBI
Derived from:	6FNX