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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.46Å
N	H1N	sing	1.01Å	1.00Å
N	H2N	sing	1.01Å	1.00Å
CA	B	sing	1.57Å	1.64Å
CA	HA	sing	1.09Å	1.10Å
CB	CA	sing	1.53Å	1.52Å
CB	H1B	sing	1.09Å	1.10Å
CB	H2B	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.51Å
CG	H1G	sing	1.09Å	1.10Å
CG	H2G	sing	1.09Å	1.10Å
CD	CG	sing	1.53Å	1.50Å
CD	H1D	sing	1.09Å	1.10Å
CD	H2D	sing	1.09Å	1.10Å
CE	CD	sing	1.53Å	1.50Å
CE	H1E	sing	1.09Å	1.10Å
CE	H2E	sing	1.09Å	1.10Å
NZ	CE	sing	1.47Å	1.44Å
NZ	H1NZ	sing	1.01Å	1.00Å
NZ	H2NZ	sing	1.01Å	1.00Å
B	O	sing	1.42Å	1.47Å
B	OXT	sing	1.42Å	1.50Å
OXT	C1	sing	1.43Å	1.46Å
C1	C2	sing	1.53Å	1.51Å
C1	H11	sing	1.09Å	1.10Å
C1	H21	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H32	sing	1.09Å	1.10Å
O	C3	sing	1.43Å	1.44Å
C3	H13	sing	1.09Å	1.10Å
C3	H23	sing	1.09Å	1.10Å
C5	C3	sing	1.53Å	1.54Å
C5	H15	sing	1.09Å	1.10Å
C5	H25	sing	1.09Å	1.10Å
C5	H35	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H1N	109.5°	111.0°
CA	N	H2N	109.5°	111.0°
N	CA	B	100.7°	109.5°
N	CA	HA	117.0°	109.5°
N	CA	CB	108.2°	109.5°
H1N	N	H2N	109.5°	111.0°
B	CA	HA	112.5°	109.4°
B	CA	CB	113.0°	109.5°
CA	B	O	116.0°	120.0°
CA	B	OXT	118.6°	120.0°
HA	CA	CB	105.5°	109.5°
CA	CB	H1B	109.7°	109.4°
CA	CB	H2B	109.7°	109.5°
CA	CB	CG	108.8°	109.5°
H1B	CB	H2B	109.3°	109.5°
H1B	CB	CG	109.7°	109.5°
H2B	CB	CG	109.7°	109.5°
CB	CG	H1G	109.2°	109.4°
CB	CG	H2G	109.3°	109.5°
CB	CG	CD	110.1°	109.5°
H1G	CG	H2G	109.7°	109.4°
H1G	CG	CD	109.3°	109.5°
H2G	CG	CD	109.2°	109.5°
CG	CD	H1D	110.8°	109.4°
CG	CD	H2D	110.9°	109.5°
CG	CD	CE	105.4°	109.5°
H1D	CD	H2D	108.1°	109.5°
H1D	CD	CE	110.8°	109.5°
H2D	CD	CE	110.8°	109.4°
CD	CE	H1E	109.1°	109.5°
CD	CE	H2E	109.1°	109.4°
CD	CE	NZ	110.7°	109.5°
H1E	CE	H2E	109.9°	109.4°
H1E	CE	NZ	109.1°	109.5°
H2E	CE	NZ	109.1°	109.5°
CE	NZ	H1NZ	109.5°	111.0°
CE	NZ	H2NZ	109.5°	111.0°
H1NZ	NZ	H2NZ	109.5°	110.9°
O	B	OXT	111.0°	120.0°
B	O	C3	138.9°	114.1°
B	OXT	C1	129.8°	114.0°
OXT	C1	C2	122.1°	109.5°
OXT	C1	H11	105.4°	109.4°
OXT	C1	H21	105.4°	109.5°
C2	C1	H11	105.5°	109.4°
C2	C1	H21	105.5°	109.5°
C1	C2	H12	109.5°	109.5°
C1	C2	H22	109.5°	109.5°
C1	C2	H32	109.4°	109.4°
H11	C1	H21	113.2°	109.5°
H12	C2	H22	109.4°	109.5°
H12	C2	H32	109.5°	109.5°
H22	C2	H32	109.5°	109.4°
O	C3	H13	106.6°	109.5°
O	C3	H23	106.6°	109.4°
O	C3	C5	118.5°	109.5°
H13	C3	H23	112.2°	109.5°
H13	C3	C5	106.6°	109.5°
H23	C3	C5	106.6°	109.5°
C3	C5	H15	109.5°	109.5°
C3	C5	H25	109.5°	109.5°
C3	C5	H35	109.5°	109.5°
H15	C5	H25	109.4°	109.5°
H15	C5	H35	109.5°	109.4°
H25	C5	H35	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H1N	H2N	120.0°	124.0°
N	CA	B	HA	125.3°	120.0°
N	CA	B	CB	115.2°	120.0°
N	CA	HA	CB	120.4°	120.0°
N	CA	CB	H1B	44.8°	60.0°
N	CA	CB	H2B	164.8°	60.0°
N	CA	CB	CG	75.2°	180.0°
N	CA	B	O	38.0°	120.0°
N	CA	B	OXT	174.2°	60.0°
H1N	N	CA	B	180.0°	60.0°
H1N	N	CA	HA	57.7°	180.0°
H1N	N	CA	CB	61.2°	60.0°
H2N	N	CA	B	60.0°	176.1°
H2N	N	CA	HA	62.3°	56.1°
H2N	N	CA	CB	178.7°	63.9°
B	CA	HA	CB	123.7°	120.0°
B	CA	CB	H1B	65.8°	180.0°
B	CA	CB	H2B	54.2°	60.0°
B	CA	CB	CG	174.2°	60.0°
CA	B	O	OXT	139.4°	179.9°
CA	B	OXT	C1	141.5°	95.1°
CA	B	O	C3	71.4°	114.9°
HA	CA	CB	H1B	170.8°	60.0°
HA	CA	CB	H2B	69.2°	180.0°
HA	CA	CB	CG	50.8°	59.9°
HA	CA	B	O	87.3°	120.1°
HA	CA	B	OXT	48.8°	60.0°
CA	CB	H1B	H2B	120.2°	120.0°
CA	CB	H1B	CG	119.4°	120.0°
CA	CB	H2B	CG	119.5°	120.0°
CA	CB	CG	H1G	64.5°	60.0°
CA	CB	CG	H2G	55.5°	59.9°
CA	CB	CG	CD	175.4°	180.0°
CB	CA	B	O	153.2°	0.0°
CB	CA	B	OXT	70.6°	180.0°
H1B	CB	H2B	CG	120.3°	120.0°
H1B	CB	CG	H1G	175.5°	180.0°
H1B	CB	CG	H2G	64.5°	60.0°
H1B	CB	CG	CD	55.5°	60.0°
H2B	CB	CG	H1G	55.5°	60.0°
H2B	CB	CG	H2G	175.5°	179.9°
H2B	CB	CG	CD	64.6°	60.0°
CB	CG	H1G	H2G	119.7°	120.0°
CB	CG	H1G	CD	120.5°	120.0°
CB	CG	H2G	CD	120.5°	120.0°
CB	CG	CD	H1D	62.8°	60.0°
CB	CG	CD	H2D	57.1°	60.0°
CB	CG	CD	CE	177.2°	180.0°
H1G	CG	H2G	CD	119.8°	120.0°
H1G	CG	CD	H1D	177.2°	180.0°
H1G	CG	CD	H2D	62.8°	59.9°
H1G	CG	CD	CE	57.2°	60.0°
H2G	CG	CD	H1D	57.1°	60.0°
H2G	CG	CD	H2D	177.1°	179.9°
H2G	CG	CD	CE	62.8°	60.0°
CG	CD	H1D	H2D	121.7°	120.0°
CG	CD	H1D	CE	116.7°	120.0°
CG	CD	H2D	CE	116.7°	120.0°
CG	CD	CE	H1E	64.8°	60.0°
CG	CD	CE	H2E	55.2°	60.0°
CG	CD	CE	NZ	175.2°	180.0°
H1D	CD	H2D	CE	121.6°	120.0°
H1D	CD	CE	H1E	175.2°	180.0°
H1D	CD	CE	H2E	64.7°	60.0°
H1D	CD	CE	NZ	55.2°	60.0°
H2D	CD	CE	H1E	55.2°	60.0°
H2D	CD	CE	H2E	175.3°	179.9°
H2D	CD	CE	NZ	64.8°	60.1°
CD	CE	H1E	H2E	119.5°	120.0°
CD	CE	H1E	NZ	121.0°	120.0°
CD	CE	H2E	NZ	121.0°	120.0°
CD	CE	NZ	H1NZ	180.0°	180.0°
CD	CE	NZ	H2NZ	60.0°	56.1°
H1E	CE	H2E	NZ	119.5°	120.1°
H1E	CE	NZ	H1NZ	60.0°	60.0°
H1E	CE	NZ	H2NZ	180.0°	176.1°
H2E	CE	NZ	H1NZ	60.0°	60.0°
H2E	CE	NZ	H2NZ	60.0°	63.9°
CE	NZ	H1NZ	H2NZ	120.0°	123.9°
O	B	OXT	C1	3.3°	85.0°
B	O	C3	H13	109.4°	64.9°
B	O	C3	H23	130.5°	55.0°
B	O	C3	C5	10.5°	175.0°
B	OXT	C1	C2	51.4°	175.0°
B	OXT	C1	H11	68.5°	55.1°
B	OXT	C1	H21	171.4°	64.9°
OXT	B	O	C3	68.0°	65.1°
OXT	C1	C2	H11	120.0°	119.9°
OXT	C1	C2	H21	120.0°	120.0°
OXT	C1	H11	H21	114.8°	120.0°
OXT	C1	C2	H12	180.0°	60.0°
OXT	C1	C2	H22	60.0°	180.0°
OXT	C1	C2	H32	60.0°	60.1°
C2	C1	H11	H21	114.8°	120.0°
C1	C2	H12	H22	120.0°	120.0°
C1	C2	H12	H32	120.0°	120.0°
C1	C2	H22	H32	120.0°	119.9°
H11	C1	C2	H12	60.0°	60.0°
H11	C1	C2	H22	180.0°	60.0°
H11	C1	C2	H32	60.0°	180.0°
H21	C1	C2	H12	60.0°	180.0°
H21	C1	C2	H22	60.0°	60.0°
H21	C1	C2	H32	180.0°	60.0°
H12	C2	H22	H32	120.0°	120.0°
O	C3	H13	H23	116.3°	119.9°
O	C3	H13	C5	127.4°	120.0°
O	C3	H23	C5	127.4°	120.0°
O	C3	C5	H15	180.0°	60.0°
O	C3	C5	H25	60.0°	60.1°
O	C3	C5	H35	60.0°	180.0°
H13	C3	H23	C5	116.3°	120.1°
H13	C3	C5	H15	60.0°	180.0°
H13	C3	C5	H25	180.0°	60.0°
H13	C3	C5	H35	60.0°	60.0°
H23	C3	C5	H15	60.0°	60.0°
H23	C3	C5	H25	60.0°	180.0°
H23	C3	C5	H35	180.0°	60.1°
C3	C5	H15	H25	120.0°	120.0°
C3	C5	H15	H35	120.0°	120.0°
C3	C5	H25	H35	120.0°	120.0°
H15	C5	H25	H35	120.0°	119.9°

Definition date:	2007-11-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1BTX