JFQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.52Å
C1	C2	sing	1.53Å	1.56Å
C2	C3	sing	1.53Å	1.53Å
N2	C3	sing	1.47Å	1.48Å
N2	C4	sing	1.47Å	1.46Å
N3	C7	sing	1.47Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
C4	C9	sing	1.53Å	1.50Å
C5	C6	sing	1.53Å	1.55Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
N1	HN1A	sing	1.01Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N2	HN2	sing	1.01Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
N3	HN3	sing	1.01Å	1.00Å
N3	HN3A	sing	1.01Å	1.00Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	114.8°	109.5°
N1	C1	H1	107.8°	109.5°
N1	C1	H1A	107.7°	109.5°
C1	N1	HN1	109.5°	111.0°
C1	N1	HN1A	109.5°	111.0°
C1	C2	C3	118.6°	109.5°
C2	C1	H1	107.7°	109.4°
C2	C1	H1A	107.7°	109.5°
C1	C2	H2	106.5°	109.5°
C1	C2	H2A	106.5°	109.5°
C2	C3	N2	113.0°	109.5°
C3	C2	H2	106.5°	109.5°
C3	C2	H2A	106.5°	109.4°
C2	C3	H3	108.3°	109.4°
C2	C3	H3A	108.3°	109.4°
C3	N2	C4	119.3°	111.0°
C3	N2	HN2	106.3°	111.0°
N2	C3	H3	108.3°	109.5°
N2	C3	H3A	108.3°	109.5°
N2	C4	C5	107.0°	109.5°
N2	C4	C9	116.2°	109.5°
C4	N2	HN2	106.3°	111.0°
N2	C4	H4	105.9°	109.4°
N3	C7	C6	117.5°	109.5°
N3	C7	C8	115.6°	109.5°
C7	N3	HN3	109.5°	111.0°
C7	N3	HN3A	109.5°	111.0°
N3	C7	H7	97.7°	109.4°
C5	C4	C9	107.3°	109.5°
C4	C5	C6	113.7°	109.5°
C5	C4	H4	115.1°	109.5°
C4	C5	H5	108.1°	109.5°
C4	C5	H5A	108.1°	109.5°
C4	C9	C8	109.4°	109.5°
C9	C4	H4	105.7°	109.5°
C4	C9	H9	109.5°	109.5°
C4	C9	H9A	109.5°	109.4°
C5	C6	C7	116.9°	109.5°
C6	C5	H5	108.1°	109.5°
C6	C5	H5A	108.1°	109.5°
C5	C6	H6	107.0°	109.5°
C5	C6	H6A	107.1°	109.5°
C6	C7	C8	106.8°	109.5°
C7	C6	H6	107.1°	109.5°
C7	C6	H6A	107.0°	109.5°
C6	C7	H7	108.2°	109.5°
C7	C8	C9	109.4°	109.5°
C8	C7	H7	110.5°	109.5°
C7	C8	H8	109.5°	109.5°
C7	C8	H8A	109.5°	109.4°
C9	C8	H8	109.5°	109.5°
C9	C8	H8A	109.5°	109.5°
C8	C9	H9	109.5°	109.5°
C8	C9	H9A	109.5°	109.5°
H1	C1	H1A	111.2°	109.5°
HN1	N1	HN1A	109.5°	111.0°
H2	C2	H2A	112.3°	109.4°
H3	C3	H3A	110.6°	109.5°
HN3	N3	HN3A	109.5°	111.0°
H5	C5	H5A	110.8°	109.4°
H6	C6	H6A	111.8°	109.5°
H8	C8	H8A	109.4°	109.5°
H9	C9	H9A	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	H1	120.0°	120.0°
N1	C1	C2	H1A	120.0°	120.0°
N1	C1	C2	C3	69.7°	180.0°
N1	C1	H1	H1A	117.8°	120.1°
C1	N1	HN1	HN1A	120.0°	124.0°
N1	C1	C2	H2	170.3°	60.0°
N1	C1	C2	H2A	50.3°	60.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	C3	N2	80.8°	180.0°
C2	C1	H1	H1A	117.8°	120.0°
C2	C1	N1	HN1	180.0°	180.0°
C2	C1	N1	HN1A	60.0°	56.0°
C1	C2	H2	H2A	116.2°	120.0°
C1	C2	C3	H3	159.2°	60.0°
C1	C2	C3	H3A	39.2°	60.0°
C2	C3	N2	H3	120.0°	119.9°
C2	C3	N2	H3A	120.0°	120.0°
C2	C3	N2	C4	59.5°	180.0°
C3	C2	C1	H1	50.4°	60.0°
C3	C2	C1	H1A	170.3°	60.0°
C3	C2	H2	H2A	116.3°	119.9°
C2	C3	N2	HN2	179.5°	56.0°
C2	C3	H3	H3A	118.5°	119.9°
C3	N2	C4	HN2	120.0°	124.0°
C3	N2	C4	C5	173.1°	155.0°
C3	N2	C4	C9	53.3°	85.0°
N2	C3	C2	H2	39.2°	60.0°
N2	C3	C2	H2A	159.2°	60.0°
N2	C3	H3	H3A	118.5°	120.1°
C3	N2	C4	H4	63.6°	35.0°
N2	C4	C5	C9	125.4°	120.0°
N2	C4	C5	H4	117.4°	120.0°
N2	C4	C9	H4	117.1°	120.0°
N2	C4	C5	C6	175.4°	180.0°
N2	C4	C9	C8	176.6°	180.0°
C4	N2	C3	H3	60.5°	60.0°
C4	N2	C3	H3A	179.5°	60.0°
N2	C4	C5	H5	55.4°	60.0°
N2	C4	C5	H5A	64.6°	60.0°
N2	C4	C9	H9	56.6°	60.0°
N2	C4	C9	H9A	63.4°	60.0°
N3	C7	C6	C5	178.4°	180.0°
N3	C7	C6	C8	131.8°	120.0°
N3	C7	C6	H7	109.3°	120.0°
N3	C7	C8	H7	109.7°	120.0°
N3	C7	C8	C9	168.7°	180.0°
C7	N3	HN3	HN3A	120.0°	123.9°
N3	C7	C6	H6	61.6°	60.0°
N3	C7	C6	H6A	58.4°	60.0°
N3	C7	C8	H8	48.7°	60.0°
N3	C7	C8	H8A	71.3°	60.1°
C5	C4	C9	H4	123.2°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	C6	C7	44.2°	60.0°
C5	C4	C9	C8	63.7°	60.0°
C5	C4	N2	HN2	53.1°	81.0°
C4	C5	H5	H5A	118.3°	120.0°
C4	C5	C6	H6	164.2°	180.0°
C4	C5	C6	H6A	75.8°	60.0°
C5	C4	C9	H9	176.3°	180.0°
C5	C4	C9	H9A	56.3°	60.0°
C9	C4	C5	C6	50.0°	60.0°
C4	C9	C8	C7	71.2°	60.0°
C4	C9	C8	H9	120.0°	120.0°
C4	C9	C8	H9A	120.0°	120.0°
C9	C4	N2	HN2	66.7°	39.0°
C9	C4	C5	H5	70.0°	60.0°
C9	C4	C5	H5A	170.0°	180.0°
C4	C9	C8	H8	168.8°	180.0°
C4	C9	C8	H8A	48.8°	60.0°
C4	C9	H9	H9A	120.0°	119.9°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	120.0°
C5	C6	C7	C8	46.6°	60.0°
C6	C5	C4	H4	67.3°	60.0°
C6	C5	H5	H5A	118.3°	120.0°
C5	C6	H6	H6A	116.9°	120.0°
C5	C6	C7	H7	72.3°	60.0°
C6	C7	C8	H7	117.5°	120.0°
C6	C7	C8	C9	58.5°	60.0°
C6	C7	N3	HN3	180.0°	180.0°
C6	C7	N3	HN3A	60.0°	56.0°
C7	C6	C5	H5	75.8°	60.0°
C7	C6	C5	H5A	164.2°	180.0°
C7	C6	H6	H6A	116.9°	120.0°
C6	C7	C8	H8	178.5°	180.0°
C6	C7	C8	H8A	61.5°	59.9°
C7	C8	C9	H8	120.0°	120.0°
C7	C8	C9	H8A	120.0°	120.0°
C8	C7	N3	HN3	52.3°	60.0°
C8	C7	N3	HN3A	172.3°	176.0°
C8	C7	C6	H6	166.6°	180.0°
C8	C7	C6	H6A	73.4°	60.0°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	C9	H9	168.8°	180.0°
C7	C8	C9	H9A	48.8°	60.0°
C8	C9	C4	H4	59.5°	60.0°
C9	C8	C7	H7	59.0°	60.0°
C9	C8	H8	H8A	120.0°	120.0°
C8	C9	H9	H9A	120.0°	120.1°
H1	C1	N1	HN1	60.0°	60.1°
H1	C1	N1	HN1A	60.0°	63.9°
H1	C1	C2	H2	69.6°	179.9°
H1	C1	C2	H2A	170.3°	60.0°
H1A	C1	N1	HN1	60.0°	60.0°
H1A	C1	N1	HN1A	180.0°	176.0°
H1A	C1	C2	H2	50.3°	60.1°
H1A	C1	C2	H2A	69.7°	180.0°
H2	C2	C3	H3	80.8°	180.0°
H2	C2	C3	H3A	159.2°	60.1°
H2A	C2	C3	H3	39.2°	60.0°
H2A	C2	C3	H3A	80.8°	180.0°
HN2	N2	C3	H3	59.5°	176.0°
HN2	N2	C3	H3A	60.5°	64.0°
HN2	N2	C4	H4	176.4°	159.0°
HN3	N3	C7	H7	64.8°	60.0°
HN3A	N3	C7	H7	55.2°	64.0°
H4	C4	C5	H5	172.8°	180.0°
H4	C4	C5	H5A	52.8°	60.0°
H4	C4	C9	H9	60.5°	60.0°
H4	C4	C9	H9A	179.5°	179.9°
H5	C5	C6	H6	44.2°	60.0°
H5	C5	C6	H6A	164.2°	180.0°
H5A	C5	C6	H6	75.8°	60.0°
H5A	C5	C6	H6A	44.2°	60.0°
H6	C6	C7	H7	47.6°	60.0°
H6A	C6	C7	H7	167.6°	180.0°
H7	C7	C8	H8	61.0°	60.0°
H7	C7	C8	H8A	179.0°	180.0°
H8	C8	C9	H9	48.8°	60.0°
H8	C8	C9	H9A	71.2°	60.0°
H8A	C8	C9	H9	71.2°	60.0°
H8A	C8	C9	H9A	168.8°	180.0°

Definition date:	2011-04-15
Last modified:	2012-04-20
Release status:	REL
Processing site:	RCSB
Derived from:	3RIE