DQB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	doub	1.39Å	1.48Å	Aromatic
C11	C16	sing	1.39Å	1.46Å	Aromatic
C11	N10	sing	1.39Å	1.40Å
C12	C13	sing	1.38Å	1.45Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.40Å	1.48Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.40Å	1.47Å	Aromatic
C14	C	sing	1.48Å	1.48Å
C15	C16	doub	1.38Å	1.45Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
C	O	doub	1.22Å	1.26Å
C	N	sing	1.35Å	1.37Å
N	CA	sing	1.46Å	1.48Å
N	HN	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.54Å
CA	HA1	sing	1.09Å	1.11Å
CA	HA2	sing	1.09Å	1.12Å
CB	CG	sing	1.53Å	1.54Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CG	CD	sing	1.51Å	1.53Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.12Å
CD	OE1	doub	1.21Å	1.25Å
CD	OE2	sing	1.34Å	1.26Å
OE2	HE2	sing	0.97Å	0.95Å
N10	C9	sing	1.46Å	1.56Å
N10	H10	sing	0.97Å	1.02Å
N1	C2	doub	1.31Å	1.39Å	Aromatic
N1	C8A	sing	1.35Å	1.41Å	Aromatic
C2	N3	sing	1.36Å	1.43Å	Aromatic
C2	NA2	sing	1.37Å	1.33Å
N3	C4	sing	1.35Å	1.46Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	C4A	sing	1.47Å	1.47Å	Aromatic
C4	OA4	doub	1.22Å	1.24Å
C5	C6	doub	1.37Å	1.47Å	Aromatic
C5	C4A	sing	1.39Å	1.46Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.39Å	1.47Å	Aromatic
C6	C9	sing	1.51Å	1.35Å
C7	C8	doub	1.37Å	1.45Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C8A	sing	1.40Å	1.45Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C4A	C8A	doub	1.41Å	1.48Å	Aromatic
NA2	HA21	sing	0.97Å	1.02Å
NA2	HA22	sing	0.97Å	1.02Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C16	118.6°	120.2°
C12	C11	N10	126.2°	119.9°
C11	C12	C13	120.5°	120.0°
C11	C12	H12	120.8°	120.0°
C16	C11	N10	115.2°	119.9°
C11	C16	C15	121.0°	120.1°
C11	C16	H16	119.8°	119.9°
C11	N10	C9	117.5°	120.0°
C11	N10	H10	109.3°	120.0°
C13	C12	H12	118.8°	119.9°
C12	C13	C14	120.8°	119.9°
C12	C13	H13	118.7°	120.0°
C14	C13	H13	120.6°	120.1°
C13	C14	C15	118.1°	119.9°
C13	C14	C	121.1°	120.1°
C15	C14	C	120.8°	120.0°
C14	C15	C16	121.0°	119.9°
C14	C15	H15	120.1°	120.0°
C14	C	O	120.2°	120.0°
C14	C	N	116.5°	120.0°
C16	C15	H15	118.8°	120.1°
C15	C16	H16	119.2°	120.0°
O	C	N	123.2°	120.0°
C	N	CA	129.2°	120.0°
C	N	HN	111.0°	120.0°
CA	N	HN	119.7°	120.0°
N	CA	CB	111.7°	109.5°
N	CA	HA1	111.4°	109.5°
N	CA	HA2	111.4°	109.5°
CB	CA	HA1	111.4°	109.5°
CB	CA	HA2	111.4°	109.4°
CA	CB	CG	116.3°	109.5°
CA	CB	HB1	109.8°	109.5°
CA	CB	HB2	109.7°	109.4°
HA1	CA	HA2	98.9°	109.5°
CG	CB	HB1	109.7°	109.5°
CG	CB	HB2	109.7°	109.5°
CB	CG	CD	113.7°	109.5°
CB	CG	HG1	110.7°	109.5°
CB	CG	HG2	110.7°	109.5°
HB1	CB	HB2	100.5°	109.5°
CD	CG	HG1	110.7°	109.4°
CD	CG	HG2	110.7°	109.4°
CG	CD	OE1	118.4°	120.0°
CG	CD	OE2	119.2°	120.0°
HG1	CG	HG2	99.5°	109.5°
OE1	CD	OE2	122.4°	120.0°
CD	OE2	HE2	119.2°	120.0°
C9	N10	H10	109.3°	120.0°
N10	C9	C6	106.7°	109.5°
N10	C9	H91	113.2°	109.5°
N10	C9	H92	113.2°	109.4°
C2	N1	C8A	114.5°	121.5°
N1	C2	N3	122.0°	123.1°
N1	C2	NA2	121.1°	118.5°
N1	C8A	C8	112.7°	121.6°
N1	C8A	C4A	127.4°	119.2°
N3	C2	NA2	116.9°	118.4°
C2	N3	C4	125.5°	120.5°
C2	N3	HN3	115.8°	119.8°
C2	NA2	HA21	121.1°	119.9°
C2	NA2	HA22	108.1°	120.0°
C4	N3	HN3	118.7°	119.7°
N3	C4	C4A	113.6°	117.6°
N3	C4	OA4	118.6°	121.2°
C4A	C4	OA4	127.9°	121.2°
C4	C4A	C5	122.5°	121.9°
C4	C4A	C8A	117.0°	118.1°
C6	C5	C4A	119.0°	119.5°
C6	C5	H5	120.9°	120.2°
C5	C6	C7	119.4°	120.7°
C5	C6	C9	120.8°	119.6°
C4A	C5	H5	120.2°	120.3°
C5	C4A	C8A	120.5°	119.9°
C7	C6	C9	119.8°	119.7°
C6	C7	C8	121.6°	121.0°
C6	C7	H7	119.9°	119.5°
C6	C9	H91	113.3°	109.5°
C6	C9	H92	113.3°	109.4°
C8	C7	H7	118.5°	119.5°
C7	C8	C8A	119.7°	119.7°
C7	C8	H8	120.2°	120.2°
C8A	C8	H8	120.2°	120.2°
C8	C8A	C4A	119.9°	119.2°
HA21	NA2	HA22	108.1°	120.0°
H91	C9	H92	97.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C16	N10	179.9°	179.6°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	H13	179.9°	179.9°
C12	C11	C16	C15	0.2°	0.6°
C12	C11	C16	H16	179.8°	180.0°
C12	C11	N10	C9	50.9°	179.9°
C12	C11	N10	H10	176.1°	0.0°
C16	C11	C12	C13	0.1°	0.4°
C16	C11	C12	H12	179.9°	179.7°
C11	C16	C15	C14	0.2°	0.6°
C11	C16	C15	H16	180.0°	179.4°
C11	C16	C15	H15	179.8°	179.6°
C16	C11	N10	C9	129.0°	0.3°
C16	C11	N10	H10	3.8°	179.7°
N10	C11	C12	C13	180.0°	180.0°
N10	C11	C12	H12	0.0°	0.1°
N10	C11	C16	C15	179.9°	179.7°
N10	C11	C16	H16	0.1°	0.3°
C11	N10	C9	H10	125.3°	180.0°
C11	N10	C9	C6	75.6°	180.0°
C11	N10	C9	H91	49.7°	59.9°
C11	N10	C9	H92	159.1°	60.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.1°
C12	C13	C14	C	179.9°	180.0°
H12	C12	C13	C14	179.9°	179.9°
H12	C12	C13	H13	0.1°	0.0°
C13	C14	C15	C	179.7°	179.9°
C13	C14	C15	C16	0.2°	0.2°
C13	C14	C15	H15	179.8°	180.0°
C13	C14	C	O	179.8°	0.1°
C13	C14	C	N	0.3°	180.0°
H13	C13	C14	C15	179.8°	180.0°
H13	C13	C14	C	0.1°	0.1°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	H16	179.8°	180.0°
C15	C14	C	O	0.1°	180.0°
C15	C14	C	N	180.0°	0.1°
C	C14	C15	C16	179.9°	179.7°
C	C14	C15	H15	0.1°	0.1°
C14	C	O	N	179.9°	179.9°
C14	C	N	CA	170.0°	180.0°
C14	C	N	HN	10.0°	0.0°
H15	C15	C16	H16	0.2°	0.2°
O	C	N	CA	10.1°	0.1°
O	C	N	HN	169.9°	179.9°
C	N	CA	HN	180.0°	180.0°
C	N	CA	CB	73.5°	180.0°
C	N	CA	HA1	51.8°	60.0°
C	N	CA	HA2	161.2°	60.0°
N	CA	CB	HA1	125.3°	120.1°
N	CA	CB	HA2	125.3°	120.0°
N	CA	HA1	HA2	117.3°	120.0°
N	CA	CB	CG	58.2°	180.0°
N	CA	CB	HB1	67.0°	60.0°
N	CA	CB	HB2	176.5°	60.0°
HN	N	CA	CB	106.5°	0.0°
HN	N	CA	HA1	128.2°	120.0°
HN	N	CA	HA2	18.8°	120.0°
CB	CA	HA1	HA2	117.3°	119.9°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.2°	120.0°
CA	CB	HB1	HB2	115.6°	120.0°
CA	CB	CG	CD	116.1°	180.0°
CA	CB	CG	HG1	118.6°	60.0°
CA	CB	CG	HG2	9.2°	60.0°
HA1	CA	CB	CG	176.4°	60.0°
HA1	CA	CB	HB1	58.3°	180.0°
HA1	CA	CB	HB2	51.2°	60.0°
HA2	CA	CB	CG	67.0°	60.0°
HA2	CA	CB	HB1	167.7°	60.0°
HA2	CA	CB	HB2	58.2°	180.0°
CG	CB	HB1	HB2	115.5°	120.1°
CB	CG	CD	HG1	125.3°	120.0°
CB	CG	CD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	116.5°	120.1°
CB	CG	CD	OE1	126.7°	0.0°
CB	CG	CD	OE2	53.8°	180.0°
HB1	CB	CG	CD	9.1°	60.0°
HB1	CB	CG	HG1	116.2°	180.0°
HB1	CB	CG	HG2	134.5°	59.9°
HB2	CB	CG	CD	118.7°	60.0°
HB2	CB	CG	HG1	6.6°	59.9°
HB2	CB	CG	HG2	116.0°	180.0°
CD	CG	HG1	HG2	116.6°	120.0°
CG	CD	OE1	OE2	179.5°	179.9°
CG	CD	OE2	HE2	180.0°	180.0°
HG1	CG	CD	OE1	108.1°	120.0°
HG1	CG	CD	OE2	71.5°	60.0°
HG2	CG	CD	OE1	1.4°	120.0°
HG2	CG	CD	OE2	179.1°	59.9°
OE1	CD	OE2	HE2	0.5°	0.1°
N10	C9	C6	C5	62.5°	90.0°
N10	C9	C6	C7	117.2°	90.0°
N10	C9	C6	H91	125.3°	120.1°
N10	C9	C6	H92	125.3°	120.0°
N10	C9	H91	H92	119.1°	120.0°
H10	N10	C9	C6	49.7°	0.1°
H10	N10	C9	H91	174.9°	120.0°
H10	N10	C9	H92	75.6°	120.0°
N1	C2	N3	NA2	179.9°	179.7°
N1	C2	N3	C4	0.0°	0.6°
N1	C2	N3	HN3	180.0°	179.9°
C2	N1	C8A	C8	180.0°	180.0°
C2	N1	C8A	C4A	0.1°	0.0°
N1	C2	NA2	HA21	180.0°	0.0°
N1	C2	NA2	HA22	54.7°	179.8°
C8A	N1	C2	N3	0.0°	0.3°
C8A	N1	C2	NA2	179.9°	180.0°
N1	C8A	C4A	C4	0.2°	0.0°
N1	C8A	C4A	C5	179.7°	180.0°
N1	C8A	C8	C7	179.7°	180.0°
N1	C8A	C8	C4A	179.8°	180.0°
N1	C8A	C8	H8	0.4°	0.0°
C2	N3	C4	HN3	180.0°	179.5°
C2	N3	C4	C4A	0.1°	0.5°
C2	N3	C4	OA4	180.0°	179.7°
N3	C2	NA2	HA21	0.1°	179.7°
N3	C2	NA2	HA22	125.4°	0.5°
NA2	C2	N3	C4	179.9°	179.8°
NA2	C2	N3	HN3	0.1°	0.2°
C2	NA2	HA21	HA22	125.3°	179.8°
N3	C4	C4A	OA4	180.0°	179.8°
N3	C4	C4A	C5	179.7°	179.8°
N3	C4	C4A	C8A	0.2°	0.2°
HN3	N3	C4	C4A	179.9°	180.0°
HN3	N3	C4	OA4	0.0°	0.2°
C4	C4A	C5	C6	179.9°	180.0°
C4	C4A	C5	C8A	179.9°	180.0°
C4	C4A	C5	H5	0.1°	0.0°
C4	C4A	C8A	C8	180.0°	180.0°
OA4	C4	C4A	C5	0.3°	0.0°
OA4	C4	C4A	C8A	179.9°	180.0°
C6	C5	C4A	H5	180.0°	180.0°
C5	C6	C7	C9	179.7°	180.0°
C5	C6	C7	C8	0.1°	0.0°
C5	C6	C7	H7	179.9°	180.0°
C6	C5	C4A	C8A	0.0°	0.0°
C5	C6	C9	H91	172.3°	30.1°
C5	C6	C9	H92	62.8°	150.0°
C4A	C5	C6	C7	0.1°	0.0°
C4A	C5	C6	C9	179.6°	180.0°
C5	C4A	C8A	C8	0.1°	0.0°
H5	C5	C6	C7	179.9°	180.0°
H5	C5	C6	C9	0.4°	0.0°
H5	C5	C4A	C8A	180.0°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C8A	0.1°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C6	C9	H91	8.0°	150.0°
C7	C6	C9	H92	117.5°	30.0°
C9	C6	C7	C8	179.7°	180.0°
C9	C6	C7	H7	0.4°	0.0°
C6	C9	H91	H92	119.2°	119.9°
C7	C8	C8A	H8	180.0°	180.0°
C7	C8	C8A	C4A	0.2°	0.0°
H7	C7	C8	C8A	179.9°	180.0°
H7	C7	C8	H8	0.1°	0.0°
H8	C8	C8A	C4A	179.8°	180.0°

Definition date:	2005-06-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1ZLY