CWY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	doub	1.21Å	1.35Å
C2	O1	sing	1.34Å	1.35Å
C2	C1	sing	1.51Å	1.47Å
N	C1	sing	1.47Å	1.39Å
C1	C	sing	1.56Å	1.49Å
C1	C3	sing	1.54Å	1.45Å
C	C7	sing	1.55Å	1.50Å
C3	C4	sing	1.55Å	1.50Å
C3	C6	sing	1.54Å	1.48Å
C11	C10	doub	1.38Å	1.36Å	Aromatic
C11	C12	sing	1.38Å	1.35Å	Aromatic
C4	C6	sing	1.53Å	1.48Å
C4	C5	sing	1.51Å	1.44Å
C10	C9	sing	1.40Å	1.33Å	Aromatic
C7	N1	sing	1.46Å	1.44Å
C7	C6	sing	1.54Å	1.49Å
N1	C8	sing	1.35Å	1.34Å
C5	O3	doub	1.21Å	1.35Å
C5	O2	sing	1.34Å	1.35Å
C12	C13	doub	1.39Å	1.33Å	Aromatic
C9	C8	sing	1.48Å	1.42Å
C9	C14	doub	1.40Å	1.36Å	Aromatic
C8	O4	doub	1.22Å	1.15Å
C13	C14	sing	1.39Å	1.35Å	Aromatic
C13	O5	sing	1.36Å	1.31Å
O5	C15	sing	1.43Å	1.37Å
O1	H1	sing	0.97Å	0.95Å
C7	H2	sing	1.09Å	1.10Å
O2	H3	sing	0.97Å	0.95Å
C6	H4	sing	1.09Å	1.10Å
N1	H5	sing	0.97Å	1.00Å
C4	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C10	H14	sing	1.08Å	1.08Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
N	H17	sing	1.01Å	1.00Å
N	H18	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	O1	114.9°	120.0°
O	C2	C1	122.5°	120.0°
O1	C2	C1	122.5°	120.0°
C2	O1	H1	109.5°	117.0°
C2	C1	N	111.1°	110.5°
C2	C1	C	107.0°	110.5°
C2	C1	C3	112.7°	110.5°
N	C1	C	111.4°	110.5°
N	C1	C3	109.1°	110.8°
C1	N	H17	109.5°	111.0°
C1	N	H18	109.4°	111.0°
C	C1	C3	105.5°	103.9°
C1	C	C7	109.4°	102.7°
C1	C	H15	109.5°	110.8°
C1	C	H16	109.5°	110.8°
C1	C3	C4	113.2°	118.2°
C1	C3	C6	109.5°	106.8°
C1	C3	H7	120.5°	117.4°
C	C7	N1	113.4°	110.5°
C	C7	C6	103.6°	104.2°
C	C7	H2	111.9°	110.6°
C7	C	H15	109.5°	110.6°
C7	C	H16	109.5°	110.9°
C4	C3	C6	59.7°	59.3°
C3	C4	C6	59.7°	59.8°
C3	C4	C5	114.2°	117.2°
C3	C4	H6	117.1°	118.1°
C4	C3	H7	119.3°	119.4°
C3	C6	C4	60.7°	60.9°
C3	C6	C7	108.2°	106.6°
C3	C6	H4	118.8°	121.3°
C6	C3	H7	119.7°	122.1°
C10	C11	C12	120.7°	120.3°
C11	C10	C9	118.9°	120.0°
C10	C11	H13	119.6°	119.9°
C11	C10	H14	120.6°	120.0°
C11	C12	C13	119.3°	120.2°
C11	C12	H12	120.3°	120.0°
C12	C11	H13	119.7°	119.8°
C6	C4	C5	116.9°	117.5°
C4	C6	C7	117.7°	118.2°
C4	C6	H4	118.7°	119.3°
C6	C4	H6	117.3°	117.5°
C4	C5	O3	114.2°	120.0°
C4	C5	O2	128.5°	120.0°
C5	C4	H6	118.4°	115.5°
C10	C9	C8	120.0°	120.1°
C10	C9	C14	121.2°	119.7°
C9	C10	H14	120.5°	120.0°
N1	C7	C6	102.5°	110.5°
C7	N1	C8	120.4°	120.0°
N1	C7	H2	112.8°	110.4°
C7	N1	H5	119.8°	120.0°
C6	C7	H2	112.0°	110.5°
C7	C6	H4	118.7°	117.5°
N1	C8	C9	117.1°	120.0°
N1	C8	O4	121.7°	120.0°
C8	N1	H5	119.8°	120.0°
O3	C5	O2	117.3°	120.0°
C5	O2	H3	109.5°	117.0°
C12	C13	C14	121.1°	120.0°
C12	C13	O5	114.6°	120.0°
C13	C12	H12	120.4°	119.8°
C8	C9	C14	118.6°	120.1°
C9	C8	O4	121.2°	120.0°
C9	C14	C13	118.8°	119.8°
C9	C14	H8	120.6°	120.1°
C14	C13	O5	124.2°	120.0°
C13	C14	H8	120.6°	120.1°
C13	O5	C15	116.6°	117.0°
O5	C15	H9	109.5°	109.5°
O5	C15	H10	109.5°	109.5°
O5	C15	H11	109.4°	109.5°
H9	C15	H10	109.5°	109.5°
H9	C15	H11	109.5°	109.5°
H10	C15	H11	109.5°	109.5°
H15	C	H16	109.5°	110.8°
H17	N	H18	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	O1	C1	179.6°	180.0°
O	C2	C1	N	0.7°	143.9°
O	C2	C1	C	122.4°	93.6°
O	C2	C1	C3	122.1°	20.8°
O	C2	O1	H1	0.0°	0.0°
O1	C2	C1	N	178.9°	36.1°
O1	C2	C1	C	57.1°	86.4°
O1	C2	C1	C3	58.4°	159.2°
C2	C1	N	C	119.1°	122.6°
C2	C1	N	C3	124.8°	122.9°
C2	C1	C	C3	120.2°	118.5°
C2	C1	C	C7	103.5°	156.6°
C2	C1	C3	C4	174.4°	154.0°
C2	C1	C3	C6	109.9°	142.3°
C1	C2	O1	H1	179.6°	180.0°
C2	C1	C3	H7	34.9°	0.9°
C2	C1	C	H15	16.4°	85.3°
C2	C1	C	H16	136.5°	38.1°
C2	C1	N	H17	180.0°	61.1°
C2	C1	N	H18	60.0°	62.8°
N	C1	C	C3	118.2°	118.9°
N	C1	C	C7	134.9°	80.8°
N	C1	C3	C4	61.7°	31.2°
N	C1	C3	C6	126.2°	94.8°
N	C1	C3	H7	88.9°	123.8°
N	C1	C	H15	105.1°	37.4°
N	C1	C	H16	15.0°	160.7°
C1	N	H17	H18	120.0°	123.9°
C1	C	C7	H15	120.0°	118.2°
C1	C	C7	H16	120.0°	118.4°
C	C1	C3	C4	58.1°	87.5°
C	C1	C3	C6	6.4°	23.8°
C1	C	C7	N1	90.4°	156.8°
C1	C	C7	C6	19.9°	38.1°
C1	C	C7	H2	140.7°	80.6°
C	C1	C3	H7	151.3°	117.6°
C1	C	H15	H16	120.1°	123.3°
C	C1	N	H17	60.9°	61.5°
C	C1	N	H18	59.1°	174.6°
C3	C1	C	C7	16.7°	38.1°
C1	C3	C4	C6	99.8°	93.6°
C1	C3	C4	H7	151.0°	154.4°
C1	C3	C6	H7	145.2°	139.2°
C1	C3	C4	C5	152.1°	158.8°
C1	C3	C6	C7	6.0°	0.2°
C1	C3	C6	H4	145.2°	138.4°
C1	C3	C4	H6	7.6°	13.6°
C3	C1	C	H15	136.7°	156.3°
C3	C1	C	H16	103.3°	80.4°
C3	C1	N	H17	55.2°	176.0°
C3	C1	N	H18	175.2°	60.0°
C	C7	C6	C3	15.6°	23.6°
C	C7	C6	C4	50.2°	89.0°
C	C7	N1	C6	111.0°	114.8°
C	C7	N1	H2	128.4°	122.6°
C	C7	C6	H2	120.7°	118.8°
C	C7	N1	C8	160.6°	90.2°
C	C7	C6	H4	154.8°	116.4°
C	C7	N1	H5	19.4°	89.8°
C7	C	H15	H16	120.0°	123.4°
C4	C3	C6	H7	108.7°	107.6°
C3	C4	C6	C5	103.6°	107.1°
C3	C4	C6	H6	106.9°	108.1°
C3	C4	C5	H6	144.0°	146.1°
C3	C4	C6	C7	96.3°	94.2°
C3	C4	C5	O3	30.2°	0.3°
C3	C4	C5	O2	149.0°	179.7°
C4	C3	C6	H4	108.7°	108.4°
C3	C6	C7	N1	102.6°	142.3°
C3	C6	C7	H4	139.2°	140.0°
C3	C6	C7	H2	136.3°	95.1°
C10	C11	C12	H13	180.0°	179.4°
C11	C10	C9	H14	180.0°	179.4°
C10	C11	C12	C13	0.2°	0.3°
C11	C10	C9	C8	173.9°	179.8°
C11	C10	C9	C14	0.7°	0.5°
C10	C11	C12	H12	179.8°	179.7°
C12	C11	C10	C9	0.5°	0.5°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	1.4°	0.1°
C11	C12	C13	O5	175.2°	180.0°
C12	C11	C10	H14	179.5°	180.0°
C6	C4	C5	H6	149.2°	145.5°
C4	C6	C7	N1	168.4°	152.3°
C4	C6	C7	H4	155.0°	154.6°
C6	C4	C5	O3	36.6°	68.6°
C6	C4	C5	O2	144.1°	111.4°
C4	C6	C7	H2	70.5°	29.8°
C5	C4	C6	C7	160.1°	158.8°
C4	C5	O3	O2	179.3°	179.9°
C4	C5	O2	H3	179.2°	180.0°
C5	C4	C6	H4	5.1°	4.7°
C5	C4	C3	H7	1.0°	4.4°
C10	C9	C8	N1	11.2°	0.3°
C10	C9	C8	C14	174.7°	179.7°
C10	C9	C8	O4	167.7°	179.7°
C10	C9	C14	C13	2.2°	0.2°
C10	C9	C14	H8	177.7°	179.8°
C9	C10	C11	H13	179.5°	180.0°
N1	C7	C6	H2	121.1°	122.6°
C7	N1	C8	H5	180.0°	179.9°
C7	N1	C8	C9	177.0°	180.0°
C7	N1	C8	O4	4.1°	0.0°
N1	C7	C6	H4	36.7°	2.3°
N1	C7	C	H15	29.6°	85.0°
N1	C7	C	H16	149.7°	38.4°
C6	C7	N1	C8	88.4°	155.0°
C6	C7	N1	H5	91.6°	25.0°
C7	C6	C4	H6	10.6°	13.9°
C7	C6	C3	H7	139.2°	139.0°
C6	C7	C	H15	139.9°	156.3°
C6	C7	C	H16	100.0°	80.3°
N1	C8	C9	O4	179.0°	180.0°
N1	C8	C9	C14	163.5°	180.0°
C8	N1	C7	H2	32.1°	32.4°
O3	C5	O2	H3	0.0°	0.1°
O3	C5	C4	H6	174.2°	145.9°
O2	C5	C4	H6	5.0°	34.2°
C12	C13	C14	C9	2.6°	0.1°
C12	C13	C14	O5	176.3°	179.9°
C12	C13	O5	C15	173.9°	0.0°
C12	C13	C14	H8	177.4°	180.0°
C13	C12	C11	H13	179.8°	179.7°
C8	C9	C14	C13	172.4°	179.9°
C9	C8	N1	H5	3.0°	0.1°
C8	C9	C14	H8	7.6°	0.0°
C8	C9	C10	H14	6.2°	0.3°
C14	C9	C8	O4	17.6°	0.0°
C9	C14	C13	H8	180.0°	180.0°
C9	C14	C13	O5	173.7°	180.0°
C14	C9	C10	H14	179.3°	180.0°
O4	C8	N1	H5	175.9°	180.0°
C14	C13	O5	C15	2.6°	179.9°
C14	C13	C12	H12	178.6°	180.0°
O5	C13	C14	H8	6.3°	0.0°
C13	O5	C15	H9	180.0°	60.0°
C13	O5	C15	H10	60.0°	60.0°
C13	O5	C15	H11	60.0°	180.0°
O5	C13	C12	H12	4.7°	0.0°
O5	C15	H9	H10	120.0°	120.0°
O5	C15	H9	H11	120.0°	120.0°
O5	C15	H10	H11	120.0°	120.0°
H2	C7	C6	H4	84.4°	124.8°
H2	C7	N1	H5	147.8°	147.5°
H2	C7	C	H15	99.3°	37.6°
H2	C7	C	H16	20.8°	161.0°
H4	C6	C4	H6	144.4°	140.2°
H4	C6	C3	H7	0.0°	0.8°
H6	C4	C3	H7	143.4°	140.9°
H9	C15	H10	H11	120.0°	120.0°
H12	C12	C11	H13	0.2°	0.3°
H13	C11	C10	H14	0.5°	0.6°

Release date:	2018-04-25
Definition date:	2017-10-05
Last modified:	2018-04-20
Release status:	REL
Processing site:	RCSB
Derived from:	6B7H