BIX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.51Å	1.50Å
C2	C4	sing	1.53Å	1.55Å
C2	N	sing	1.47Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.51Å
C5	P6	sing	1.82Å	1.80Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C3	O1	sing	1.34Å	1.24Å
C3	O3	doub	1.21Å	1.20Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C1	CA	sing	1.53Å	1.58Å
C1	P6	sing	1.82Å	1.85Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
OE2	CD	sing	1.34Å	1.25Å
CD	OE1	doub	1.21Å	1.25Å
CD	CG	sing	1.51Å	1.54Å
CG	CB	sing	1.53Å	1.53Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CB	CA	sing	1.53Å	1.56Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
C	OC	sing	1.34Å	1.28Å
C	O	doub	1.21Å	1.24Å
P6	O61	sing	1.61Å	1.57Å
P6	O6	doub	1.48Å	1.49Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
OE2	H15	sing	0.97Å	0.95Å
O1	H16	sing	0.97Å	0.95Å
OC	H17	sing	0.97Å	0.95Å
O61	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C4	112.7°	109.5°
C3	C2	N	104.9°	109.5°
C3	C2	H2	110.2°	109.5°
C2	C3	O1	119.1°	120.0°
C2	C3	O3	120.9°	120.0°
C4	C2	N	108.9°	109.5°
C4	C2	H2	106.4°	109.5°
C2	C4	C5	113.9°	109.5°
C2	C4	H4	108.0°	109.5°
C2	C4	H4A	107.0°	109.5°
N	C2	H2	114.0°	109.4°
C2	N	HN	109.5°	111.0°
C2	N	HNA	109.4°	111.0°
C4	C5	P6	106.6°	109.5°
C4	C5	H5	110.4°	109.4°
C4	C5	H5A	111.1°	109.4°
C5	C4	H4	108.0°	109.4°
C5	C4	H4A	107.0°	109.5°
P6	C5	H5	110.5°	109.5°
P6	C5	H5A	111.1°	109.5°
C5	P6	C1	110.7°	109.5°
C5	P6	O61	109.9°	109.5°
C5	P6	O6	108.3°	109.5°
H5	C5	H5A	107.2°	109.5°
O1	C3	O3	119.9°	120.0°
C3	O1	H16	109.5°	116.9°
H4	C4	H4A	113.0°	109.4°
CA	C1	P6	112.3°	109.5°
CA	C1	H1	108.5°	109.5°
CA	C1	H1A	107.9°	109.5°
C1	CA	CB	111.3°	109.4°
C1	CA	C	112.8°	109.4°
C1	CA	HA	105.1°	109.5°
P6	C1	H1	108.5°	109.5°
P6	C1	H1A	107.9°	109.4°
C1	P6	O61	108.1°	109.4°
C1	P6	O6	105.6°	109.5°
H1	C1	H1A	111.7°	109.5°
OE2	CD	OE1	121.2°	119.9°
OE2	CD	CG	122.7°	120.0°
CD	OE2	H15	109.5°	117.1°
OE1	CD	CG	116.0°	120.0°
CD	CG	CB	109.7°	109.5°
CD	CG	HG	109.4°	109.5°
CD	CG	HGA	109.3°	109.5°
CB	CG	HG	109.4°	109.5°
CB	CG	HGA	109.3°	109.4°
CG	CB	CA	111.0°	109.5°
CG	CB	HB	108.9°	109.5°
CG	CB	HBA	108.6°	109.4°
HG	CG	HGA	109.7°	109.5°
CA	CB	HB	109.0°	109.5°
CA	CB	HBA	108.6°	109.5°
CB	CA	C	106.9°	109.5°
CB	CA	HA	111.2°	109.5°
HB	CB	HBA	110.7°	109.5°
C	CA	HA	109.6°	109.5°
CA	C	OC	120.4°	120.0°
CA	C	O	118.5°	120.0°
OC	C	O	121.1°	120.0°
C	OC	H17	109.5°	117.0°
O61	P6	O6	114.2°	109.5°
P6	O61	H18	109.5°	114.0°
HN	N	HNA	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C4	N	115.9°	120.0°
C3	C2	C4	H2	120.9°	120.0°
C3	C2	N	H2	120.6°	120.0°
C3	C2	C4	C5	32.4°	175.0°
C2	C3	O1	O3	179.0°	180.0°
C3	C2	C4	H4	87.6°	65.0°
C3	C2	C4	H4A	150.4°	55.0°
C3	C2	N	HN	171.0°	63.9°
C3	C2	N	HNA	50.9°	60.0°
C2	C3	O1	H16	179.0°	180.0°
C4	C2	N	H2	118.5°	120.0°
C2	C4	C5	H4	120.0°	120.0°
C2	C4	C5	H4A	118.1°	120.1°
C2	C4	C5	P6	177.1°	180.0°
C2	C4	C5	H5	57.1°	60.0°
C2	C4	C5	H5A	61.8°	60.0°
C4	C2	C3	O1	102.4°	80.0°
C4	C2	C3	O3	76.6°	100.0°
C2	C4	H4	H4A	118.2°	120.0°
C4	C2	N	HN	68.2°	176.0°
C4	C2	N	HNA	171.8°	60.1°
N	C2	C4	C5	83.5°	65.0°
N	C2	C3	O1	15.9°	160.0°
N	C2	C3	O3	165.1°	20.0°
N	C2	C4	H4	156.5°	55.0°
N	C2	C4	H4A	34.5°	175.0°
C2	N	HN	HNA	120.0°	123.9°
H2	C2	C4	C5	153.3°	55.0°
H2	C2	C3	O1	138.9°	40.0°
H2	C2	C3	O3	42.1°	140.0°
H2	C2	C4	H4	33.3°	175.0°
H2	C2	C4	H4A	88.7°	65.1°
H2	C2	N	HN	50.3°	56.1°
H2	C2	N	HNA	69.7°	180.0°
C4	C5	P6	H5	120.0°	120.0°
C4	C5	P6	H5A	121.1°	120.0°
C4	C5	H5	H5A	121.2°	119.9°
C5	C4	H4	H4A	118.2°	119.9°
C4	C5	P6	C1	58.7°	175.0°
C4	C5	P6	O61	60.6°	65.0°
C4	C5	P6	O6	174.1°	55.0°
P6	C5	H5	H5A	121.2°	120.0°
P6	C5	C4	H4	62.9°	60.0°
P6	C5	C4	H4A	59.1°	59.9°
C5	P6	C1	CA	142.1°	175.0°
C5	P6	C1	O61	120.4°	120.0°
C5	P6	C1	O6	117.0°	120.0°
C5	P6	C1	H1	22.1°	65.0°
C5	P6	C1	H1A	99.1°	55.0°
C5	P6	O61	O6	121.9°	120.0°
C5	P6	O61	H18	84.0°	59.9°
H5	C5	C4	H4	177.1°	180.0°
H5	C5	C4	H4A	61.0°	60.1°
H5	C5	P6	C1	178.8°	55.0°
H5	C5	P6	O61	59.5°	175.0°
H5	C5	P6	O6	65.9°	65.0°
H5A	C5	C4	H4	58.2°	60.0°
H5A	C5	C4	H4A	179.8°	180.0°
H5A	C5	P6	C1	62.4°	65.0°
H5A	C5	P6	O61	178.3°	55.0°
H5A	C5	P6	O6	53.0°	175.0°
O3	C3	O1	H16	0.0°	0.0°
CA	C1	P6	H1	120.0°	120.0°
CA	C1	P6	H1A	118.8°	120.0°
CA	C1	H1	H1A	118.8°	120.1°
C1	CA	CB	CG	46.5°	175.0°
C1	CA	CB	C	123.5°	120.0°
C1	CA	CB	HA	116.8°	120.0°
C1	CA	CB	HB	73.5°	65.0°
C1	CA	CB	HBA	165.9°	55.0°
C1	CA	C	HA	116.7°	120.0°
C1	CA	C	OC	156.1°	180.0°
C1	CA	C	O	26.6°	0.0°
CA	C1	P6	O61	21.7°	65.0°
CA	C1	P6	O6	100.9°	55.0°
P6	C1	H1	H1A	118.9°	119.9°
P6	C1	CA	CB	170.4°	165.0°
P6	C1	CA	C	69.5°	75.0°
P6	C1	CA	HA	49.9°	45.0°
C1	P6	O61	O6	117.2°	120.0°
C1	P6	O61	H18	36.9°	60.1°
H1	C1	CA	CB	69.7°	75.0°
H1	C1	CA	C	50.5°	45.0°
H1	C1	CA	HA	169.9°	165.0°
H1	C1	P6	O61	98.3°	55.0°
H1	C1	P6	O6	139.1°	175.0°
H1A	C1	CA	CB	51.6°	45.1°
H1A	C1	CA	C	171.7°	165.0°
H1A	C1	CA	HA	68.9°	74.9°
H1A	C1	P6	O61	140.5°	175.0°
H1A	C1	P6	O6	17.9°	65.0°
OE2	CD	OE1	CG	178.2°	180.0°
OE2	CD	CG	CB	8.8°	180.0°
OE2	CD	CG	HG	111.2°	60.0°
OE2	CD	CG	HGA	128.7°	60.0°
OE1	CD	CG	CB	169.4°	0.0°
OE1	CD	CG	HG	70.6°	120.0°
OE1	CD	CG	HGA	49.4°	120.0°
OE1	CD	OE2	H15	0.0°	0.0°
CD	CG	CB	HG	120.0°	120.0°
CD	CG	CB	HGA	119.9°	120.0°
CD	CG	HG	HGA	119.9°	120.0°
CD	CG	CB	CA	173.2°	180.0°
CD	CG	CB	HB	66.8°	60.0°
CD	CG	CB	HBA	53.9°	60.0°
CG	CD	OE2	H15	178.1°	180.0°
CB	CG	HG	HGA	119.9°	120.0°
CG	CB	CA	HB	120.0°	120.0°
CG	CB	CA	HBA	119.3°	120.0°
CG	CB	HB	HBA	119.4°	120.0°
CG	CB	CA	C	77.0°	65.0°
CG	CB	CA	HA	163.4°	55.0°
HG	CG	CB	CA	53.2°	60.0°
HG	CG	CB	HB	173.2°	180.0°
HG	CG	CB	HBA	66.1°	60.0°
HGA	CG	CB	CA	66.9°	60.0°
HGA	CG	CB	HB	53.1°	60.0°
HGA	CG	CB	HBA	173.8°	180.0°
CA	CB	HB	HBA	119.4°	120.0°
CB	CA	C	HA	120.7°	120.0°
CB	CA	C	OC	81.3°	60.1°
CB	CA	C	O	96.0°	120.0°
HB	CB	CA	C	163.0°	55.0°
HB	CB	CA	HA	43.4°	175.0°
HBA	CB	CA	C	42.3°	175.0°
HBA	CB	CA	HA	77.3°	65.0°
CA	C	OC	O	177.3°	180.0°
CA	C	OC	H17	177.2°	180.0°
HA	CA	C	OC	39.3°	60.0°
HA	CA	C	O	143.3°	120.0°
O	C	OC	H17	0.0°	0.0°
O6	P6	O61	H18	154.1°	179.9°

Definition date:	2007-11-30
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	3BI0