DTB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CN	O	doub	1.22Å	1.24Å
CN	N2	sing	1.34Å	1.37Å
CN	N1	sing	1.34Å	1.34Å
N2	CR	sing	1.47Å	1.45Å
N2	HN2	sing	0.97Å	1.00Å
CR	CS	sing	1.54Å	1.58Å
CR	CE	sing	1.53Å	1.57Å
CR	HCR	sing	1.09Å	1.10Å
CS	N1	sing	1.47Å	1.44Å
CS	CT	sing	1.53Å	1.55Å
CS	HCS	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
CT	HCT1	sing	1.09Å	1.10Å
CT	HCT2	sing	1.09Å	1.10Å
CT	HCT3	sing	1.09Å	1.10Å
CE	CD	sing	1.53Å	1.54Å
CE	HCE1	sing	1.09Å	1.10Å
CE	HCE2	sing	1.09Å	1.10Å
CD	CG	sing	1.53Å	1.52Å
CD	HCD1	sing	1.09Å	1.10Å
CD	HCD2	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.51Å
CG	HCG1	sing	1.09Å	1.10Å
CG	HCG2	sing	1.09Å	1.10Å
CB	CA	sing	1.53Å	1.55Å
CB	HCB1	sing	1.09Å	1.10Å
CB	HCB2	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.59Å
CA	HCA1	sing	1.09Å	1.10Å
CA	HCA2	sing	1.09Å	1.10Å
C	OI1	doub	1.21Å	1.25Å
C	OI2	sing	1.34Å	1.24Å
OI2	HOI2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	CN	N2	126.4°	123.0°
O	CN	N1	124.3°	123.0°
N2	CN	N1	109.2°	114.0°
CN	N2	CR	110.0°	109.2°
CN	N2	HN2	125.0°	125.5°
CN	N1	CS	107.9°	109.1°
CN	N1	HN1	126.1°	125.5°
CR	N2	HN2	125.0°	125.4°
N2	CR	CS	98.3°	103.9°
N2	CR	CE	113.7°	110.6°
N2	CR	HCR	112.1°	110.6°
CS	CR	CE	111.6°	110.5°
CS	CR	HCR	110.3°	110.5°
CR	CS	N1	99.9°	103.8°
CR	CS	CT	120.3°	110.6°
CR	CS	HCS	106.7°	110.5°
CE	CR	HCR	110.3°	110.6°
CR	CE	CD	111.9°	109.5°
CR	CE	HCE1	108.8°	109.5°
CR	CE	HCE2	108.9°	109.5°
N1	CS	CT	113.8°	110.7°
N1	CS	HCS	108.4°	110.3°
CS	N1	HN1	126.0°	125.4°
CT	CS	HCS	107.0°	110.6°
CS	CT	HCT1	109.5°	109.4°
CS	CT	HCT2	109.5°	109.5°
CS	CT	HCT3	109.4°	109.5°
HCT1	CT	HCT2	109.4°	109.5°
HCT1	CT	HCT3	109.5°	109.5°
HCT2	CT	HCT3	109.5°	109.5°
CD	CE	HCE1	108.9°	109.5°
CD	CE	HCE2	108.9°	109.4°
CE	CD	CG	119.4°	109.5°
CE	CD	HCD1	106.9°	109.5°
CE	CD	HCD2	106.9°	109.4°
HCE1	CE	HCE2	109.4°	109.5°
CG	CD	HCD1	107.0°	109.5°
CG	CD	HCD2	106.9°	109.5°
CD	CG	CB	110.7°	109.4°
CD	CG	HCG1	109.1°	109.5°
CD	CG	HCG2	109.2°	109.5°
HCD1	CD	HCD2	109.5°	109.5°
CB	CG	HCG1	109.1°	109.4°
CB	CG	HCG2	109.1°	109.5°
CG	CB	CA	109.9°	109.5°
CG	CB	HCB1	109.4°	109.5°
CG	CB	HCB2	109.4°	109.5°
HCG1	CG	HCG2	109.5°	109.5°
CA	CB	HCB1	109.4°	109.4°
CA	CB	HCB2	109.4°	109.5°
CB	CA	C	116.1°	109.5°
CB	CA	HCA1	107.8°	109.5°
CB	CA	HCA2	107.8°	109.5°
HCB1	CB	HCB2	109.4°	109.4°
C	CA	HCA1	107.8°	109.4°
C	CA	HCA2	107.8°	109.5°
CA	C	OI1	119.8°	120.0°
CA	C	OI2	116.6°	120.0°
HCA1	CA	HCA2	109.5°	109.5°
OI1	C	OI2	123.5°	120.0°
C	OI2	HOI2	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	CN	N2	N1	179.8°	179.8°
O	CN	N2	CR	175.0°	180.0°
O	CN	N2	HN2	5.0°	0.0°
O	CN	N1	CS	158.9°	179.8°
O	CN	N1	HN1	21.1°	0.0°
CN	N2	CR	HN2	180.0°	180.0°
CN	N2	CR	CS	25.5°	0.0°
CN	N2	CR	CE	143.6°	118.6°
CN	N2	CR	HCR	90.4°	118.6°
N2	CN	N1	CS	21.2°	0.4°
N2	CN	N1	HN1	158.8°	179.8°
N1	CN	N2	CR	4.8°	0.3°
N1	CN	N2	HN2	175.2°	179.7°
CN	N1	CS	CR	35.7°	0.4°
CN	N1	CS	HN1	180.0°	179.8°
CN	N1	CS	CT	93.9°	118.3°
CN	N1	CS	HCS	147.1°	118.9°
N2	CR	CS	CE	119.7°	118.6°
N2	CR	CS	HCR	117.4°	118.6°
N2	CR	CE	HCR	127.0°	122.8°
N2	CR	CS	N1	35.4°	0.2°
N2	CR	CS	CT	89.8°	118.5°
N2	CR	CS	HCS	148.1°	118.6°
N2	CR	CE	CD	174.2°	66.4°
N2	CR	CE	HCE1	65.4°	173.5°
N2	CR	CE	HCE2	53.8°	53.5°
HN2	N2	CR	CS	154.5°	180.0°
HN2	N2	CR	CE	36.4°	61.4°
HN2	N2	CR	HCR	89.6°	61.4°
CS	CR	CE	HCR	123.0°	122.7°
CR	CS	N1	CT	129.6°	118.7°
CR	CS	N1	HCS	111.5°	118.5°
CR	CS	CT	HCS	121.9°	122.8°
CR	CS	N1	HN1	144.3°	179.8°
CR	CS	CT	HCT1	180.0°	60.0°
CR	CS	CT	HCT2	60.0°	180.0°
CR	CS	CT	HCT3	60.0°	59.9°
CS	CR	CE	CD	75.7°	179.1°
CS	CR	CE	HCE1	44.7°	59.1°
CS	CR	CE	HCE2	163.9°	61.0°
CE	CR	CS	N1	155.1°	118.9°
CE	CR	CS	CT	29.8°	0.1°
CE	CR	CS	HCS	92.2°	122.8°
CR	CE	CD	HCE1	120.4°	120.0°
CR	CE	CD	HCE2	120.4°	120.0°
CR	CE	HCE1	HCE2	118.9°	120.0°
CR	CE	CD	CG	166.3°	180.0°
CR	CE	CD	HCD1	44.8°	60.0°
CR	CE	CD	HCD2	72.3°	60.0°
HCR	CR	CS	N1	81.9°	118.4°
HCR	CR	CS	CT	152.8°	122.8°
HCR	CR	CS	HCS	30.8°	0.0°
HCR	CR	CE	CD	47.3°	56.4°
HCR	CR	CE	HCE1	167.6°	63.7°
HCR	CR	CE	HCE2	73.1°	176.3°
N1	CS	CT	HCS	119.7°	122.7°
N1	CS	CT	HCT1	61.6°	174.6°
N1	CS	CT	HCT2	58.4°	65.5°
N1	CS	CT	HCT3	178.4°	54.6°
CT	CS	N1	HN1	86.1°	61.5°
CS	CT	HCT1	HCT2	120.0°	120.0°
CS	CT	HCT1	HCT3	120.0°	120.0°
CS	CT	HCT2	HCT3	120.0°	120.0°
HCS	CS	N1	HN1	32.9°	61.3°
HCS	CS	CT	HCT1	58.1°	62.8°
HCS	CS	CT	HCT2	178.1°	57.2°
HCS	CS	CT	HCT3	61.9°	177.2°
HCT1	CT	HCT2	HCT3	120.0°	120.0°
CD	CE	HCE1	HCE2	118.9°	119.9°
CE	CD	CG	HCD1	121.4°	120.0°
CE	CD	CG	HCD2	121.4°	119.9°
CE	CD	HCD1	HCD2	115.5°	120.0°
CE	CD	CG	CB	158.5°	180.0°
CE	CD	CG	HCG1	38.4°	60.0°
CE	CD	CG	HCG2	81.3°	60.1°
HCE1	CE	CD	CG	73.4°	60.0°
HCE1	CE	CD	HCD1	165.2°	180.0°
HCE1	CE	CD	HCD2	48.0°	60.0°
HCE2	CE	CD	CG	45.9°	60.0°
HCE2	CE	CD	HCD1	75.5°	60.0°
HCE2	CE	CD	HCD2	167.3°	180.0°
CG	CD	HCD1	HCD2	115.5°	120.0°
CD	CG	CB	HCG1	120.2°	120.0°
CD	CG	CB	HCG2	120.2°	120.0°
CD	CG	HCG1	HCG2	119.4°	120.0°
CD	CG	CB	CA	178.5°	180.0°
CD	CG	CB	HCB1	58.4°	60.0°
CD	CG	CB	HCB2	61.4°	60.0°
HCD1	CD	CG	CB	80.1°	60.0°
HCD1	CD	CG	HCG1	159.8°	180.0°
HCD1	CD	CG	HCG2	40.1°	60.0°
HCD2	CD	CG	CB	37.2°	60.0°
HCD2	CD	CG	HCG1	83.0°	59.9°
HCD2	CD	CG	HCG2	157.3°	180.0°
CB	CG	HCG1	HCG2	119.4°	120.0°
CG	CB	CA	HCB1	120.1°	120.0°
CG	CB	CA	HCB2	120.1°	120.1°
CG	CB	HCB1	HCB2	119.8°	120.1°
CG	CB	CA	C	49.5°	180.0°
CG	CB	CA	HCA1	170.5°	60.0°
CG	CB	CA	HCA2	71.5°	60.0°
HCG1	CG	CB	CA	61.3°	60.0°
HCG1	CG	CB	HCB1	178.6°	180.0°
HCG1	CG	CB	HCB2	58.8°	60.0°
HCG2	CG	CB	CA	58.3°	60.0°
HCG2	CG	CB	HCB1	61.7°	60.0°
HCG2	CG	CB	HCB2	178.4°	180.0°
CA	CB	HCB1	HCB2	119.8°	119.9°
CB	CA	C	HCA1	121.0°	120.0°
CB	CA	C	HCA2	121.0°	120.0°
CB	CA	HCA1	HCA2	117.0°	120.0°
CB	CA	C	OI1	51.6°	0.0°
CB	CA	C	OI2	123.8°	180.0°
HCB1	CB	CA	C	70.6°	60.0°
HCB1	CB	CA	HCA1	50.4°	180.0°
HCB1	CB	CA	HCA2	168.4°	60.0°
HCB2	CB	CA	C	169.6°	59.9°
HCB2	CB	CA	HCA1	69.5°	60.0°
HCB2	CB	CA	HCA2	48.6°	179.9°
C	CA	HCA1	HCA2	117.0°	120.0°
CA	C	OI1	OI2	175.1°	180.0°
CA	C	OI2	HOI2	175.2°	180.0°
HCA1	CA	C	OI1	69.4°	120.0°
HCA1	CA	C	OI2	115.2°	60.0°
HCA2	CA	C	OI1	172.6°	120.0°
HCA2	CA	C	OI2	2.8°	60.0°
OI1	C	OI2	HOI2	0.0°	0.1°

Definition date:	1999-08-17
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1DAM