CYK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C6	C5	sing	1.51Å	1.51Å
O3	C5	doub	1.21Å	1.25Å
C5	N1	sing	1.35Å	1.33Å
O1	C4	doub	1.21Å	1.17Å
C4	C3	sing	1.51Å	1.52Å
C4	O2	sing	1.34Å	1.16Å
N1	C3	sing	1.47Å	1.45Å
N1	HN1	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C1	S	sing	1.81Å	1.80Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
S	HS	sing	1.35Å	1.30Å
C7	C6	sing	1.53Å	1.56Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.55Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C9	C8	sing	1.53Å	1.55Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C10	C9	sing	1.53Å	1.51Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	111.0°	109.5°
C3	C2	H2	108.9°	109.5°
C3	C2	H2A	108.6°	109.5°
C2	C3	C4	111.3°	109.4°
C2	C3	N1	113.1°	109.5°
C2	C3	H3	107.2°	109.5°
C1	C2	H2	109.0°	109.4°
C1	C2	H2A	108.6°	109.5°
C2	C1	S	110.4°	109.5°
C2	C1	H1	109.2°	109.4°
C2	C1	H1A	108.9°	109.5°
H2	C2	H2A	110.7°	109.5°
C6	C5	O3	122.9°	120.0°
C6	C5	N1	114.8°	120.0°
C5	C6	C7	109.8°	109.4°
C5	C6	H6	109.3°	109.5°
C5	C6	H6A	109.3°	109.5°
O3	C5	N1	122.3°	120.0°
C5	N1	C3	122.8°	120.0°
C5	N1	HN1	118.6°	120.0°
O1	C4	C3	121.0°	120.0°
O1	C4	O2	115.7°	120.0°
C3	C4	O2	123.2°	120.0°
C4	C3	N1	113.7°	109.5°
C4	C3	H3	106.5°	109.4°
C4	O2	HO2	109.5°	117.0°
C3	N1	HN1	118.6°	120.0°
N1	C3	H3	104.4°	109.5°
S	C1	H1	109.1°	109.5°
S	C1	H1A	108.9°	109.5°
C1	S	HS	109.5°	103.0°
H1	C1	H1A	110.3°	109.5°
C7	C6	H6	109.3°	109.4°
C7	C6	H6A	109.2°	109.4°
C6	C7	C8	111.6°	109.4°
C6	C7	H7	108.8°	109.4°
C6	C7	H7A	108.3°	109.5°
H6	C6	H6A	109.8°	109.5°
C8	C7	H7	108.8°	109.5°
C8	C7	H7A	108.3°	109.5°
C7	C8	C9	121.6°	109.4°
C7	C8	H8	105.6°	109.5°
C7	C8	H8A	102.8°	109.5°
H7	C7	H7A	111.1°	109.5°
C9	C8	H8	105.6°	109.4°
C9	C8	H8A	102.8°	109.4°
C8	C9	C10	112.4°	109.4°
C8	C9	H9	108.5°	109.4°
C8	C9	H9A	107.8°	109.5°
H8	C8	H8A	119.6°	109.5°
C10	C9	H9	108.5°	109.5°
C10	C9	H9A	107.8°	109.5°
C9	C10	H10	109.5°	109.5°
C9	C10	H10A	109.4°	109.5°
C9	C10	H10B	109.5°	109.5°
H9	C9	H9A	111.8°	109.5°
H10	C10	H10A	109.5°	109.5°
H10	C10	H10B	109.4°	109.4°
H10A	C10	H10B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	120.0°	120.0°
C3	C2	C1	H2A	119.3°	120.0°
C3	C2	H2	H2A	119.4°	120.0°
C2	C3	N1	C5	160.9°	155.0°
C2	C3	C4	O1	112.5°	120.0°
C2	C3	C4	N1	129.1°	120.0°
C2	C3	C4	H3	116.5°	120.0°
C2	C3	C4	O2	66.3°	60.0°
C2	C3	N1	H3	116.2°	120.0°
C2	C3	N1	HN1	19.0°	25.0°
C3	C2	C1	S	173.7°	180.0°
C3	C2	C1	H1	53.8°	60.0°
C3	C2	C1	H1A	66.7°	59.9°
C1	C2	H2	H2A	119.4°	120.0°
C1	C2	C3	C4	101.4°	175.0°
C1	C2	C3	N1	129.2°	65.0°
C1	C2	C3	H3	14.7°	55.1°
C2	C1	S	H1	120.0°	120.0°
C2	C1	S	H1A	119.6°	120.1°
C2	C1	H1	H1A	119.6°	120.0°
C2	C1	S	HS	129.3°	180.0°
H2	C2	C3	C4	138.6°	65.0°
H2	C2	C3	N1	9.2°	55.0°
H2	C2	C3	H3	105.3°	175.0°
H2	C2	C1	S	66.3°	60.0°
H2	C2	C1	H1	173.7°	NaN°
H2	C2	C1	H1A	53.3°	60.0°
H2A	C2	C3	C4	18.0°	55.0°
H2A	C2	C3	N1	111.4°	175.0°
H2A	C2	C3	H3	134.1°	65.0°
H2A	C2	C1	S	54.4°	60.0°
H2A	C2	C1	H1	65.6°	60.0°
H2A	C2	C1	H1A	174.0°	180.0°
C6	C5	O3	N1	178.1°	180.0°
C6	C5	N1	C3	172.1°	180.0°
C6	C5	N1	HN1	7.9°	0.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	119.9°	120.0°
C5	C6	H6	H6A	119.9°	120.1°
C5	C6	C7	C8	84.6°	180.0°
C5	C6	C7	H7	155.4°	60.0°
C5	C6	C7	H7A	34.5°	60.0°
O3	C5	N1	C3	6.2°	0.0°
O3	C5	N1	HN1	173.8°	180.0°
O3	C5	C6	C7	82.7°	0.0°
O3	C5	C6	H6	157.3°	120.0°
O3	C5	C6	H6A	37.2°	120.0°
C5	N1	C3	C4	70.9°	85.0°
C5	N1	C3	HN1	180.0°	180.0°
C5	N1	C3	H3	44.8°	35.0°
N1	C5	C6	C7	95.6°	180.0°
N1	C5	C6	H6	24.4°	60.1°
N1	C5	C6	H6A	144.6°	60.0°
O1	C4	C3	O2	178.8°	180.0°
O1	C4	C3	N1	16.6°	0.0°
O1	C4	C3	H3	131.0°	120.0°
O1	C4	O2	HO2	0.0°	0.0°
C4	C3	N1	H3	115.7°	120.0°
C4	C3	N1	HN1	109.1°	95.0°
C3	C4	O2	HO2	178.9°	180.0°
O2	C4	C3	N1	164.6°	180.0°
O2	C4	C3	H3	50.2°	60.0°
HN1	N1	C3	H3	135.2°	145.0°
S	C1	H1	H1A	119.6°	120.0°
H1	C1	S	HS	9.3°	60.0°
H1A	C1	S	HS	111.1°	60.0°
C7	C6	H6	H6A	119.8°	120.0°
C6	C7	C8	H7	120.0°	119.9°
C6	C7	C8	H7A	119.1°	120.0°
C6	C7	H7	H7A	119.2°	120.0°
C6	C7	C8	C9	168.2°	180.0°
C6	C7	C8	H8	71.8°	60.1°
C6	C7	C8	H8A	54.2°	60.0°
H6	C6	C7	C8	35.3°	60.0°
H6	C6	C7	H7	84.7°	180.0°
H6	C6	C7	H7A	154.4°	60.0°
H6A	C6	C7	C8	155.5°	60.0°
H6A	C6	C7	H7	35.5°	60.0°
H6A	C6	C7	H7A	85.4°	180.0°
C8	C7	H7	H7A	119.1°	120.1°
C7	C8	C9	H8	120.0°	120.0°
C7	C8	C9	H8A	114.0°	120.0°
C7	C8	H8	H8A	115.0°	120.1°
C7	C8	C9	C10	28.6°	180.0°
C7	C8	C9	H9	91.4°	60.0°
C7	C8	C9	H9A	147.3°	60.0°
H7	C7	C8	C9	48.2°	60.1°
H7	C7	C8	H8	168.2°	180.0°
H7	C7	C8	H8A	65.8°	59.9°
H7A	C7	C8	C9	72.7°	60.0°
H7A	C7	C8	H8	47.3°	59.9°
H7A	C7	C8	H8A	173.3°	180.0°
C9	C8	H8	H8A	115.0°	120.0°
C8	C9	C10	H9	120.0°	120.0°
C8	C9	C10	H9A	118.7°	120.0°
C8	C9	H9	H9A	118.8°	120.0°
C8	C9	C10	H10	96.2°	180.0°
C8	C9	C10	H10A	23.8°	60.0°
C8	C9	C10	H10B	143.9°	60.0°
H8	C8	C9	C10	148.6°	60.0°
H8	C8	C9	H9	28.6°	180.0°
H8	C8	C9	H9A	92.7°	60.0°
H8A	C8	C9	C10	85.4°	60.0°
H8A	C8	C9	H9	154.6°	60.0°
H8A	C8	C9	H9A	33.4°	180.0°
C10	C9	H9	H9A	118.8°	120.0°
C9	C10	H10	H10A	120.0°	120.0°
C9	C10	H10	H10B	120.0°	120.0°
C9	C10	H10A	H10B	120.0°	120.1°
H9	C9	C10	H10	143.8°	60.0°
H9	C9	C10	H10A	96.2°	180.0°
H9	C9	C10	H10B	23.9°	59.9°
H9A	C9	C10	H10	22.6°	60.0°
H9A	C9	C10	H10A	142.6°	60.0°
H9A	C9	C10	H10B	97.4°	180.0°
H10	C10	H10A	H10B	120.0°	119.9°

Definition date:	2008-06-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3DHC