BCY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C2	sing	1.47Å	1.47Å
N	HN1	sing	1.01Å	1.02Å
N	HN2	sing	1.01Å	1.02Å
N2	N3	sing	1.37Å	1.44Å
N2	C1	sing	1.34Å	1.31Å
N2	C8	sing	1.48Å	1.52Å
N3	C4	sing	1.45Å	1.48Å
N3	C6	sing	1.48Å	1.47Å
O1	C1	doub	1.21Å	1.27Å
CB	C2	sing	1.53Å	1.54Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.11Å
C1	C2	sing	1.51Å	1.52Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.55Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C6	C7	sing	1.55Å	1.59Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.54Å	1.51Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
C8	C9	sing	1.51Å	1.50Å
C8	H8	sing	1.09Å	1.11Å
C9	O2	doub	1.21Å	1.30Å
C9	H9	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N	HN1	93.5°	106.7°
C2	N	HN2	118.5°	106.7°
N	C2	CB	93.5°	109.7°
N	C2	C1	98.4°	109.7°
N	C2	C3	115.8°	109.7°
HN1	N	HN2	118.4°	106.7°
N3	N2	C1	125.7°	128.2°
N3	N2	C8	111.0°	107.0°
N2	N3	C4	117.0°	109.9°
N2	N3	C6	104.4°	106.0°
C1	N2	C8	121.4°	124.8°
N2	C1	O1	120.7°	119.9°
N2	C1	C2	119.7°	120.2°
N2	C8	C7	100.9°	105.1°
N2	C8	C9	96.4°	110.4°
N2	C8	H8	118.5°	110.3°
C4	N3	C6	117.1°	107.2°
N3	C4	C3	110.7°	110.8°
N3	C4	H41	111.7°	109.3°
N3	C4	H42	111.7°	109.2°
N3	C6	C7	99.5°	102.8°
N3	C6	H61	116.0°	110.8°
N3	C6	H62	116.0°	110.7°
O1	C1	C2	118.0°	119.9°
C2	CB	HB1	93.5°	109.5°
C2	CB	HB2	118.5°	109.5°
C2	CB	HB3	118.5°	109.4°
CB	C2	C1	115.3°	109.8°
CB	C2	C3	115.7°	109.8°
HB1	CB	HB2	118.5°	109.4°
HB1	CB	HB3	118.6°	109.5°
HB2	CB	HB3	91.7°	109.5°
C1	C2	C3	114.9°	108.3°
C2	C3	C4	111.9°	108.6°
C2	C3	H31	111.3°	109.5°
C2	C3	H32	111.3°	109.7°
C4	C3	H31	111.3°	109.6°
C4	C3	H32	111.3°	109.6°
C3	C4	H41	111.8°	109.2°
C3	C4	H42	111.7°	109.2°
H31	C3	H32	99.1°	109.8°
H41	C4	H42	98.7°	109.1°
C7	C6	H61	116.0°	110.8°
C7	C6	H62	116.0°	110.7°
C6	C7	C8	101.6°	102.9°
C6	C7	H71	115.3°	110.7°
C6	C7	H72	115.3°	110.7°
H61	C6	H62	94.4°	110.7°
C8	C7	H71	115.2°	110.8°
C8	C7	H72	115.2°	110.7°
C7	C8	C9	97.2°	110.3°
C7	C8	H8	117.9°	110.3°
H71	C7	H72	95.1°	110.7°
C9	C8	H8	121.4°	110.3°
C8	C9	O2	123.0°	120.0°
C8	C9	H9	126.1°	120.0°
O2	C9	H9	110.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N	HN1	HN2	125.2°	113.8°
N	C2	C1	N2	133.5°	97.3°
N	C2	C1	O1	32.4°	82.7°
N	C2	CB	C1	101.1°	120.5°
N	C2	CB	C3	120.9°	120.5°
N	C2	CB	HB1	180.0°	60.0°
N	C2	CB	HB2	54.7°	60.0°
N	C2	CB	HB3	54.7°	180.0°
N	C2	C1	C3	123.7°	119.7°
N	C2	C3	C4	151.1°	71.6°
N	C2	C3	H31	83.6°	168.7°
N	C2	C3	H32	25.9°	48.2°
HN1	N	C2	CB	180.0°	173.8°
HN1	N	C2	C1	63.7°	53.2°
HN1	N	C2	C3	59.3°	65.6°
HN2	N	C2	CB	54.8°	60.0°
HN2	N	C2	C1	61.4°	60.6°
HN2	N	C2	C3	175.6°	179.4°
N3	N2	C1	C8	162.6°	179.3°
N2	N3	C4	C6	125.1°	114.8°
N3	N2	C1	O1	169.6°	169.6°
N3	N2	C1	C2	4.2°	10.4°
N2	N3	C4	C3	39.5°	51.0°
N2	N3	C4	H41	164.8°	171.5°
N2	N3	C4	H42	85.7°	69.3°
N2	N3	C6	C7	40.7°	38.5°
N2	N3	C6	H61	84.5°	157.0°
N2	N3	C6	H62	165.9°	79.7°
N3	N2	C8	C7	10.0°	25.6°
N3	N2	C8	C9	108.7°	144.6°
N3	N2	C8	H8	120.3°	93.2°
C1	N2	N3	C4	12.0°	24.4°
C1	N2	N3	C6	143.3°	139.9°
N2	C1	O1	C2	165.7°	179.9°
N2	C1	C2	CB	128.6°	142.1°
N2	C1	C2	C3	9.8°	22.3°
C1	N2	C8	C7	174.9°	154.9°
C1	N2	C8	C9	86.4°	35.9°
C1	N2	C8	H8	44.6°	86.2°
C8	N2	N3	C4	152.1°	156.2°
C8	N2	N3	C6	20.8°	40.7°
C8	N2	C1	O1	27.8°	9.8°
C8	N2	C1	C2	166.8°	170.3°
N2	C8	C7	C6	34.0°	1.3°
N2	C8	C7	C9	98.0°	119.0°
N2	C8	C7	H8	130.7°	118.9°
N2	C8	C7	H71	159.3°	119.7°
N2	C8	C7	H72	91.3°	117.1°
N2	C8	C9	H8	129.1°	122.2°
N2	C8	C9	O2	48.1°	122.8°
N2	C8	C9	H9	131.9°	57.2°
N3	C4	C3	C2	51.5°	66.1°
N3	C4	C3	H41	125.2°	120.5°
N3	C4	C3	H42	125.2°	120.4°
N3	C4	C3	H31	176.8°	53.5°
N3	C4	C3	H32	73.7°	174.1°
N3	C4	H41	H42	117.7°	119.4°
C4	N3	C6	C7	171.9°	155.9°
C4	N3	C6	H61	46.7°	85.7°
C4	N3	C6	H62	62.9°	37.6°
C6	N3	C4	C3	164.6°	165.8°
C6	N3	C4	H41	70.1°	73.8°
C6	N3	C4	H42	39.4°	45.5°
N3	C6	C7	H61	125.2°	118.5°
N3	C6	C7	H62	125.2°	118.3°
N3	C6	H61	H62	121.9°	123.3°
N3	C6	C7	C8	47.3°	21.0°
N3	C6	C7	H71	172.6°	97.4°
N3	C6	C7	H72	78.0°	139.4°
O1	C1	C2	CB	65.6°	37.8°
O1	C1	C2	C3	156.0°	157.6°
C2	CB	HB1	HB2	125.2°	120.1°
C2	CB	HB1	HB3	125.2°	119.9°
C2	CB	HB2	HB3	124.0°	120.0°
CB	C2	C1	C3	138.4°	119.8°
CB	C2	C3	C4	100.9°	167.8°
CB	C2	C3	H31	24.3°	48.2°
CB	C2	C3	H32	133.8°	72.3°
HB1	CB	HB2	HB3	124.1°	120.0°
HB1	CB	C2	C1	78.9°	60.5°
HB1	CB	C2	C3	59.1°	179.5°
HB2	CB	C2	C1	46.3°	179.4°
HB2	CB	C2	C3	175.6°	60.5°
HB3	CB	C2	C1	155.8°	59.4°
HB3	CB	C2	C3	66.2°	59.5°
C1	C2	C3	C4	37.3°	48.0°
C1	C2	C3	H31	162.5°	71.6°
C1	C2	C3	H32	88.0°	167.9°
C2	C3	C4	H31	125.3°	119.6°
C2	C3	C4	H32	125.3°	119.8°
C2	C3	H31	H32	117.2°	120.5°
C2	C3	C4	H41	176.8°	173.4°
C2	C3	C4	H42	73.7°	54.3°
C4	C3	H31	H32	117.2°	120.5°
C3	C4	H41	H42	117.7°	119.2°
H31	C3	C4	H41	58.0°	66.9°
H31	C3	C4	H42	51.6°	173.9°
H32	C3	C4	H41	51.5°	53.6°
H32	C3	C4	H42	161.0°	65.6°
C7	C6	H61	H62	121.8°	123.3°
C6	C7	C8	H71	125.3°	118.4°
C6	C7	C8	H72	125.3°	118.3°
C6	C7	H71	H72	121.1°	123.2°
C6	C7	C8	C9	132.0°	120.3°
C6	C7	C8	H8	96.7°	117.6°
H61	C6	C7	C8	78.0°	139.5°
H61	C6	C7	H71	47.3°	21.0°
H61	C6	C7	H72	156.7°	102.2°
H62	C6	C7	C8	172.5°	97.3°
H62	C6	C7	H71	62.2°	144.3°
H62	C6	C7	H72	47.2°	21.1°
C8	C7	H71	H72	121.0°	123.3°
C7	C8	C9	H8	129.0°	122.1°
C7	C8	C9	O2	53.8°	121.5°
C7	C8	C9	H9	126.2°	58.6°
H71	C7	C8	C9	102.7°	121.3°
H71	C7	C8	H8	28.6°	0.8°
H72	C7	C8	C9	6.6°	1.9°
H72	C7	C8	H8	137.9°	124.0°
C8	C9	O2	H9	180.0°	180.0°
H8	C8	C9	O2	177.3°	0.6°
H8	C8	C9	H9	2.7°	179.4°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB