H0K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.51Å	1.51Å
N1	N2	sing	1.40Å	1.36Å	Aromatic
N1	C8	doub	1.32Å	1.34Å	Aromatic
C23	C2	doub	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.40Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
N2	C9	sing	1.36Å	1.35Å	Aromatic
C8	C22	sing	1.49Å	1.45Å
C8	C7	sing	1.40Å	1.44Å	Aromatic
C22	C5	doub	1.39Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C9	C7	doub	1.36Å	1.38Å	Aromatic
C9	C10	sing	1.48Å	1.48Å
C7	C6	sing	1.51Å	1.48Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.51Å	1.50Å
C10	C15	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C14	C13	doub	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C13	C16	sing	1.48Å	1.50Å
C16	C21	doub	1.39Å	1.40Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C21	C20	sing	1.38Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.39Å	1.38Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C19	O2	sing	1.36Å	1.37Å
O2	H15	sing	0.97Å	0.95Å
C18	H14	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å
C20	H16	sing	1.08Å	1.08Å
C21	H17	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
N2	H1	sing	0.97Å	1.00Å
C4	H6	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C23	H18	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	112.8°	109.4°
O1	C1	H3	108.6°	109.5°
O1	C1	H4	108.6°	109.4°
C1	O1	H2	109.5°	114.0°
C1	C2	C23	120.4°	119.9°
C1	C2	C3	121.1°	119.9°
C2	C1	H3	108.6°	109.5°
C2	C1	H4	108.6°	109.5°
N2	N1	C8	104.6°	108.5°
N1	N2	C9	113.2°	108.0°
N1	N2	H1	123.4°	126.0°
N1	C8	C22	141.4°	142.8°
N1	C8	C7	110.9°	108.0°
C2	C23	C22	120.8°	120.0°
C23	C2	C3	118.5°	120.3°
C2	C23	H18	119.6°	120.1°
C23	C22	C8	130.9°	131.1°
C23	C22	C5	120.0°	119.4°
C22	C23	H18	119.6°	120.0°
C2	C3	C4	121.1°	120.1°
C2	C3	H5	119.5°	119.9°
N2	C9	C7	106.7°	107.4°
N2	C9	C10	121.9°	126.3°
C9	N2	H1	123.4°	126.0°
C22	C8	C7	107.7°	109.2°
C8	C22	C5	109.1°	109.5°
C8	C7	C9	104.6°	108.1°
C8	C7	C6	109.3°	107.4°
C22	C5	C4	119.5°	120.2°
C22	C5	C6	110.4°	107.8°
C3	C4	C5	120.2°	120.1°
C3	C4	H6	119.9°	120.0°
C4	C3	H5	119.5°	120.0°
C7	C9	C10	131.3°	126.3°
C9	C7	C6	146.1°	144.5°
C9	C10	C15	120.3°	120.0°
C9	C10	C11	121.0°	120.0°
C7	C6	C5	103.3°	106.1°
C7	C6	H7	111.0°	110.1°
C7	C6	H8	111.0°	110.1°
C4	C5	C6	130.1°	132.0°
C5	C4	H6	119.9°	119.9°
C5	C6	H7	111.0°	110.2°
C5	C6	H8	111.0°	110.2°
C15	C10	C11	118.1°	120.0°
C10	C15	C14	120.9°	120.0°
C10	C15	H12	119.5°	120.0°
C10	C11	C12	120.7°	120.0°
C10	C11	H9	119.6°	120.0°
C15	C14	C13	121.7°	120.0°
C15	C14	H11	119.1°	120.0°
C14	C15	H12	119.5°	120.0°
C11	C12	C13	121.4°	120.1°
C11	C12	H10	119.3°	119.9°
C12	C11	H9	119.6°	120.1°
C14	C13	C12	117.0°	120.0°
C14	C13	C16	120.5°	120.0°
C13	C14	H11	119.2°	120.0°
C12	C13	C16	122.2°	120.0°
C13	C12	H10	119.3°	120.0°
C13	C16	C21	120.8°	120.1°
C13	C16	C17	122.0°	120.0°
C21	C16	C17	117.2°	119.9°
C16	C21	C20	121.7°	120.0°
C16	C21	H17	119.1°	120.0°
C16	C17	C18	121.4°	119.9°
C16	C17	H13	119.3°	120.1°
C21	C20	C19	119.9°	120.0°
C21	C20	H16	120.0°	120.0°
C20	C21	H17	119.2°	120.0°
C17	C18	C19	120.0°	120.0°
C17	C18	H14	120.0°	120.0°
C18	C17	H13	119.3°	120.0°
C20	C19	C18	119.6°	120.2°
C20	C19	O2	118.2°	119.9°
C19	C20	H16	120.0°	120.0°
C18	C19	O2	122.1°	119.9°
C19	C18	H14	120.0°	120.0°
C19	O2	H15	109.5°	114.0°
H7	C6	H8	109.4°	110.1°
H3	C1	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H3	120.5°	120.0°
O1	C1	C2	H4	120.5°	120.0°
O1	C1	C2	C23	141.3°	90.0°
O1	C1	C2	C3	37.5°	91.3°
O1	C1	H3	H4	118.5°	120.0°
C1	C2	C23	C3	178.8°	178.7°
C1	C2	C23	C22	178.2°	180.0°
C1	C2	C3	C4	177.4°	179.4°
C1	C2	C3	H5	2.6°	0.6°
C1	C2	C23	H18	1.8°	1.2°
C2	C1	H3	H4	118.5°	120.0°
C2	C1	O1	H2	180.0°	180.0°
N1	N2	C9	H1	180.0°	179.9°
N2	N1	C8	C22	176.2°	180.0°
N2	N1	C8	C7	0.3°	0.5°
N1	N2	C9	C7	0.3°	0.0°
N1	N2	C9	C10	179.1°	179.7°
N1	C8	C22	C23	5.0°	0.1°
C8	N1	N2	C9	0.0°	0.3°
N1	C8	C22	C7	176.6°	179.5°
N1	C8	C22	C5	175.0°	179.3°
N1	C8	C7	C9	0.5°	0.5°
N1	C8	C7	C6	179.0°	179.6°
C8	N1	N2	H1	180.0°	179.8°
C2	C23	C22	H18	180.0°	178.8°
C2	C23	C22	C8	179.0°	179.5°
C2	C23	C22	C5	1.0°	1.3°
C23	C2	C3	C4	1.3°	0.7°
C23	C2	C3	H5	178.7°	179.3°
C23	C2	C1	H3	98.2°	150.0°
C23	C2	C1	H4	20.8°	29.9°
C22	C23	C2	C3	0.6°	1.3°
C23	C22	C8	C5	179.9°	179.3°
C23	C22	C8	C7	178.4°	179.6°
C23	C22	C5	C4	1.9°	0.6°
C23	C22	C5	C6	176.2°	179.7°
C2	C3	C4	H5	180.0°	180.0°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C4	H6	179.5°	180.0°
C3	C2	C23	H18	179.4°	179.9°
C3	C2	C1	H3	83.0°	28.7°
C3	C2	C1	H4	158.0°	148.8°
N2	C9	C7	C8	0.5°	0.3°
N2	C9	C7	C10	179.3°	179.7°
N2	C9	C7	C6	177.9°	179.8°
N2	C9	C10	C15	17.0°	45.3°
N2	C9	C10	C11	172.2°	134.4°
C22	C8	C7	C9	177.2°	179.8°
C22	C8	C7	C6	1.3°	0.1°
C8	C22	C5	C4	178.2°	179.9°
C8	C22	C5	C6	3.8°	0.3°
C8	C22	C23	H18	1.0°	0.7°
C7	C8	C22	C5	1.6°	0.2°
C8	C7	C9	C6	177.5°	179.9°
C8	C7	C9	C10	178.9°	180.0°
C8	C7	C6	C5	3.3°	0.0°
C8	C7	C6	H7	122.4°	119.2°
C8	C7	C6	H8	115.7°	119.3°
C22	C5	C4	C3	1.2°	0.0°
C22	C5	C6	C7	4.4°	0.2°
C22	C5	C4	C6	177.6°	179.6°
C22	C5	C6	H7	123.4°	119.0°
C22	C5	C6	H8	114.6°	119.4°
C22	C5	C4	H6	178.8°	180.0°
C5	C22	C23	H18	178.9°	179.9°
C3	C4	C5	H6	180.0°	180.0°
C3	C4	C5	C6	176.4°	179.6°
C9	C7	C6	C5	174.1°	180.0°
C7	C9	C10	C15	162.3°	135.0°
C7	C9	C10	C11	8.5°	45.3°
C9	C7	C6	H7	55.0°	60.8°
C9	C7	C6	H8	66.9°	60.8°
C7	C9	N2	H1	179.7°	179.9°
C10	C9	C7	C6	1.4°	0.1°
C9	C10	C15	C11	171.1°	179.7°
C9	C10	C15	C14	169.1°	180.0°
C9	C10	C11	C12	168.6°	180.0°
C9	C10	C11	H9	11.4°	0.1°
C9	C10	C15	H12	10.9°	0.0°
C10	C9	N2	H1	0.9°	0.2°
C7	C6	C5	C4	177.8°	179.8°
C7	C6	C5	H7	119.0°	119.1°
C7	C6	C5	H8	119.0°	119.2°
C7	C6	H7	H8	122.8°	121.6°
C4	C5	C6	H7	58.8°	60.7°
C4	C5	C6	H8	63.1°	61.0°
C5	C4	C3	H5	179.5°	180.0°
C5	C6	H7	H8	122.8°	121.7°
C6	C5	C4	H6	3.6°	0.4°
C10	C15	C14	H12	180.0°	180.0°
C15	C10	C11	C12	2.4°	0.4°
C10	C15	C14	C13	1.0°	0.1°
C15	C10	C11	H9	177.6°	179.8°
C10	C15	C14	H11	179.0°	180.0°
C11	C10	C15	C14	2.0°	0.3°
C10	C11	C12	H9	180.0°	179.9°
C10	C11	C12	C13	0.2°	0.1°
C10	C11	C12	H10	179.8°	180.0°
C11	C10	C15	H12	178.1°	179.7°
C15	C14	C13	H11	180.0°	180.0°
C15	C14	C13	C12	3.5°	0.2°
C15	C14	C13	C16	177.7°	180.0°
C11	C12	C13	C14	3.1°	0.2°
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	C16	177.2°	180.0°
C14	C13	C12	C16	174.1°	179.8°
C14	C13	C16	C21	22.5°	0.3°
C14	C13	C16	C17	156.9°	179.5°
C14	C13	C12	H10	176.9°	179.7°
C13	C14	C15	H12	179.0°	180.0°
C12	C13	C16	C21	163.6°	179.9°
C12	C13	C16	C17	17.0°	0.3°
C13	C12	C11	H9	179.8°	180.0°
C12	C13	C14	H11	176.5°	179.7°
C13	C16	C21	C17	179.4°	179.8°
C13	C16	C21	C20	174.5°	179.9°
C13	C16	C17	C18	174.7°	180.0°
C13	C16	C17	H13	5.3°	0.0°
C13	C16	C21	H17	5.5°	0.1°
C16	C13	C12	H10	2.8°	0.0°
C16	C13	C14	H11	2.3°	0.0°
C16	C21	C20	H17	180.0°	180.0°
C21	C16	C17	C18	4.7°	0.3°
C16	C21	C20	C19	1.5°	0.0°
C21	C16	C17	H13	175.3°	179.8°
C16	C21	C20	H16	178.5°	179.9°
C17	C16	C21	C20	4.9°	0.3°
C16	C17	C18	H13	180.0°	180.0°
C16	C17	C18	C19	1.2°	0.0°
C16	C17	C18	H14	178.8°	180.0°
C17	C16	C21	H17	175.1°	179.7°
C21	C20	C19	H16	180.0°	179.9°
C21	C20	C19	C18	2.2°	0.2°
C21	C20	C19	O2	179.3°	179.9°
C17	C18	C19	C20	2.3°	0.3°
C17	C18	C19	H14	180.0°	180.0°
C17	C18	C19	O2	179.2°	180.0°
C20	C19	C18	O2	178.5°	179.7°
C20	C19	O2	H15	180.0°	90.2°
C20	C19	C18	H14	177.6°	179.8°
C19	C20	C21	H17	178.5°	179.9°
C18	C19	O2	H15	1.5°	90.1°
C19	C18	C17	H13	178.8°	180.0°
C18	C19	C20	H16	177.8°	179.7°
O2	C19	C18	H14	0.9°	0.1°
O2	C19	C20	H16	0.7°	0.0°
H14	C18	C17	H13	1.2°	0.0°
H16	C20	C21	H17	1.5°	0.0°
H10	C12	C11	H9	0.2°	0.1°
H11	C14	C15	H12	1.0°	0.0°
H6	C4	C3	H5	0.5°	0.0°
H3	C1	O1	H2	59.5°	60.0°
H4	C1	O1	H2	59.5°	60.0°

Definition date:	2012-07-05
Last modified:	2012-08-17
Release status:	REL
Processing site:	RCSB
Derived from:	4FTL