1HK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N1	sing	1.40Å	1.37Å	Aromatic
N2	C8	doub	1.32Å	1.34Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.40Å	1.39Å	Aromatic
N1	C7	sing	1.35Å	1.36Å	Aromatic
C8	C16	sing	1.48Å	1.45Å
C8	C9	sing	1.41Å	1.42Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C16	C11	doub	1.39Å	1.39Å	Aromatic
C7	C9	doub	1.35Å	1.42Å	Aromatic
C7	C6	sing	1.51Å	1.42Å
C9	C10	sing	1.51Å	1.47Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.51Å	1.50Å
C11	C12	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.53Å	1.33Å
C5	C4	sing	1.51Å	1.48Å
C4	C17	doub	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.40Å	Aromatic
C17	C18	sing	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C18	C1	doub	1.39Å	1.40Å	Aromatic
C18	O2	sing	1.36Å	1.37Å
C2	C1	sing	1.39Å	1.39Å	Aromatic
C19	O2	sing	1.43Å	1.42Å
C1	O1	sing	1.36Å	1.36Å
O1	H2	sing	0.97Å	0.95Å
C19	H192	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
C17	H13	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å
C15	H12	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	N2	C8	105.7°	108.1°
N2	N1	C7	112.6°	108.1°
N2	N1	H1	123.7°	125.9°
N2	C8	C16	139.1°	143.1°
N2	C8	C9	111.0°	107.7°
C14	C15	C16	119.7°	120.0°
C15	C14	C13	120.2°	120.2°
C14	C15	H12	120.1°	120.0°
C15	C14	H11	119.9°	119.9°
C15	C16	C8	132.8°	131.1°
C15	C16	C11	120.1°	119.3°
C16	C15	H12	120.2°	120.0°
N1	C7	C9	105.8°	107.9°
N1	C7	C6	124.9°	126.0°
C7	N1	H1	123.7°	126.0°
C16	C8	C9	109.6°	109.2°
C8	C16	C11	107.0°	109.6°
C8	C9	C7	104.8°	108.1°
C8	C9	C10	108.4°	107.3°
C14	C13	C12	120.1°	120.1°
C13	C14	H11	119.9°	119.9°
C14	C13	H10	119.9°	120.0°
C16	C11	C10	110.5°	107.8°
C16	C11	C12	119.6°	120.3°
C9	C7	C6	129.2°	126.0°
C7	C9	C10	146.7°	144.6°
C7	C6	C5	127.1°	109.5°
C7	C6	H6	104.9°	109.5°
C7	C6	H15	104.9°	109.4°
C9	C10	C11	103.8°	106.2°
C9	C10	H7	110.9°	110.1°
C9	C10	H8	110.9°	110.2°
C13	C12	C11	120.2°	120.0°
C12	C13	H10	119.9°	119.9°
C13	C12	H9	119.9°	120.0°
C10	C11	C12	129.9°	132.0°
C11	C10	H7	110.9°	110.1°
C11	C10	H8	110.8°	110.2°
C11	C12	H9	119.9°	120.0°
C6	C5	C4	128.1°	109.5°
C6	C5	H5	104.6°	109.5°
C6	C5	H14	104.6°	109.5°
C5	C6	H6	104.9°	109.5°
C5	C6	H15	104.9°	109.5°
C5	C4	C17	122.9°	119.9°
C5	C4	C3	117.6°	119.9°
C4	C5	H5	104.6°	109.5°
C4	C5	H14	104.6°	109.5°
C17	C4	C3	118.8°	120.2°
C4	C17	C18	120.4°	120.0°
C4	C17	H13	119.8°	120.0°
C4	C3	C2	120.9°	120.1°
C4	C3	H4	119.6°	120.0°
C17	C18	C1	119.9°	119.8°
C17	C18	O2	126.0°	120.1°
C18	C17	H13	119.8°	120.0°
C3	C2	C1	120.4°	120.0°
C2	C3	H4	119.5°	119.9°
C3	C2	H3	119.8°	120.0°
C1	C18	O2	114.1°	120.1°
C18	C1	C2	119.5°	119.9°
C18	C1	O1	120.0°	120.1°
C18	O2	C19	118.8°	117.0°
C2	C1	O1	120.5°	120.0°
C1	C2	H3	119.8°	120.0°
O2	C19	H192	109.5°	109.5°
O2	C19	H191	109.5°	109.5°
O2	C19	H193	109.5°	109.5°
C1	O1	H2	109.5°	114.0°
H192	C19	H191	109.5°	109.4°
H192	C19	H193	109.4°	109.5°
H191	C19	H193	109.5°	109.4°
H5	C5	H14	109.5°	109.5°
H6	C6	H15	109.5°	109.5°
H7	C10	H8	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	C7	H1	180.0°	179.7°
N1	N2	C8	C16	172.1°	179.8°
N1	N2	C8	C9	0.9°	0.2°
N2	N1	C7	C9	0.6°	0.4°
N2	N1	C7	C6	175.5°	179.9°
N2	C8	C16	C15	3.6°	0.0°
C8	N2	N1	C7	0.2°	0.3°
N2	C8	C16	C9	173.1°	179.9°
N2	C8	C16	C11	172.2°	180.0°
N2	C8	C9	C7	1.3°	0.1°
N2	C8	C9	C10	179.7°	180.0°
C8	N2	N1	H1	179.8°	179.9°
C14	C15	C16	H12	180.0°	180.0°
C14	C15	C16	C8	173.5°	180.0°
C15	C14	C13	H11	180.0°	179.9°
C14	C15	C16	C11	1.8°	0.0°
C15	C14	C13	C12	0.9°	0.1°
C15	C14	C13	H10	179.1°	180.0°
C15	C16	C8	C11	175.8°	180.0°
C15	C16	C8	C9	176.7°	180.0°
C16	C15	C14	C13	0.4°	0.1°
C15	C16	C11	C10	177.6°	179.9°
C15	C16	C11	C12	1.9°	0.0°
C16	C15	C14	H11	179.6°	180.0°
N1	C7	C9	C8	1.1°	0.3°
N1	C7	C9	C6	175.9°	179.7°
N1	C7	C9	C10	178.3°	179.8°
N1	C7	C6	C5	178.6°	95.3°
N1	C7	C6	H6	56.2°	144.7°
N1	C7	C6	H15	59.1°	24.7°
C16	C8	C9	C7	173.9°	180.0°
C16	C8	C9	C10	4.5°	0.0°
C8	C16	C11	C10	6.0°	0.1°
C8	C16	C11	C12	174.6°	180.0°
C8	C16	C15	H12	6.4°	0.0°
C9	C8	C16	C11	0.9°	0.1°
C8	C9	C7	C10	177.2°	179.9°
C8	C9	C7	C6	174.8°	180.0°
C8	C9	C10	C11	7.7°	0.0°
C8	C9	C10	H7	126.7°	119.2°
C8	C9	C10	H8	111.4°	119.3°
C14	C13	C12	H10	180.0°	179.9°
C14	C13	C12	C11	0.8°	0.1°
C13	C14	C15	H12	179.6°	180.0°
C14	C13	C12	H9	179.2°	179.9°
C16	C11	C10	C9	8.5°	0.0°
C16	C11	C12	C13	0.6°	0.0°
C16	C11	C10	C12	179.4°	179.9°
C16	C11	C10	H7	127.6°	119.2°
C16	C11	C10	H8	110.6°	119.2°
C11	C16	C15	H12	178.2°	180.0°
C16	C11	C12	H9	179.4°	180.0°
C7	C9	C10	C11	169.5°	179.9°
C9	C7	C6	C5	3.4°	85.1°
C9	C7	C6	H6	118.9°	35.0°
C9	C7	C6	H15	125.8°	155.0°
C7	C9	C10	H7	50.5°	60.7°
C7	C9	C10	H8	71.4°	60.8°
C9	C7	N1	H1	179.4°	179.9°
C6	C7	C9	C10	2.4°	0.1°
C7	C6	C5	H6	122.4°	120.0°
C7	C6	C5	H15	122.3°	120.0°
C7	C6	C5	C4	165.2°	NaN°
C7	C6	C5	H5	72.4°	60.0°
C7	C6	C5	H14	42.7°	60.0°
C7	C6	H6	H15	112.1°	120.0°
C6	C7	N1	H1	4.5°	0.2°
C9	C10	C11	H7	119.1°	119.2°
C9	C10	C11	H8	119.1°	119.3°
C9	C10	C11	C12	172.1°	179.9°
C9	C10	H7	H8	122.7°	121.6°
C13	C12	C11	C10	178.8°	179.9°
C13	C12	C11	H9	180.0°	180.0°
C12	C13	C14	H11	179.1°	180.0°
C11	C10	H7	H8	122.6°	121.6°
C10	C11	C12	H9	1.2°	0.1°
C12	C11	C10	H7	53.0°	60.9°
C12	C11	C10	H8	68.8°	60.7°
C11	C12	C13	H10	179.2°	180.0°
C6	C5	C4	H5	122.4°	120.0°
C6	C5	C4	H14	122.5°	120.0°
C6	C5	C4	C17	12.7°	90.0°
C6	C5	C4	C3	157.3°	90.1°
C6	C5	H5	H14	111.7°	120.0°
C5	C6	H6	H15	112.1°	120.0°
C5	C4	C17	C3	169.9°	179.9°
C5	C4	C17	C18	168.5°	180.0°
C5	C4	C3	C2	167.3°	179.7°
C5	C4	C17	H13	11.6°	0.0°
C5	C4	C3	H4	12.7°	0.0°
C4	C5	H5	H14	111.7°	120.0°
C4	C5	C6	H6	42.8°	60.0°
C4	C5	C6	H15	72.5°	60.0°
C4	C17	C18	H13	180.0°	180.0°
C17	C4	C3	C2	3.2°	0.4°
C4	C17	C18	C1	1.1°	0.0°
C4	C17	C18	O2	177.6°	180.0°
C17	C4	C3	H4	176.8°	180.0°
C17	C4	C5	H5	135.2°	150.0°
C17	C4	C5	H14	109.8°	30.0°
C3	C4	C17	C18	1.4°	0.0°
C4	C3	C2	H4	180.0°	179.6°
C4	C3	C2	C1	2.3°	0.7°
C3	C4	C17	H13	178.6°	179.9°
C4	C3	C2	H3	177.7°	180.0°
C3	C4	C5	H5	34.8°	29.9°
C3	C4	C5	H14	80.2°	149.9°
C17	C18	C1	O2	178.9°	180.0°
C17	C18	C1	C2	2.0°	0.3°
C17	C18	O2	C19	0.3°	0.0°
C17	C18	C1	O1	178.6°	180.0°
C3	C2	C1	C18	0.3°	0.6°
C3	C2	C1	H3	180.0°	179.3°
C3	C2	C1	O1	176.8°	179.7°
C18	C1	C2	O1	176.6°	179.7°
C1	C18	O2	C19	178.5°	180.0°
C18	C1	O1	H2	180.0°	90.0°
C1	C18	C17	H13	178.9°	180.0°
C18	C1	C2	H3	179.7°	180.0°
O2	C18	C1	C2	176.9°	179.7°
O2	C18	C1	O1	0.3°	0.0°
C18	O2	C19	H192	180.0°	60.0°
C18	O2	C19	H191	60.0°	180.0°
C18	O2	C19	H193	60.0°	60.1°
O2	C18	C17	H13	2.4°	0.0°
C2	C1	O1	H2	3.4°	90.3°
C1	C2	C3	H4	177.7°	179.7°
O2	C19	H192	H191	120.0°	120.0°
O2	C19	H192	H193	120.0°	120.1°
O2	C19	H191	H193	120.0°	120.0°
O1	C1	C2	H3	3.2°	0.3°
H192	C19	H191	H193	119.9°	120.0°
H4	C3	C2	H3	2.3°	0.3°
H5	C5	C6	H6	165.3°	180.0°
H5	C5	C6	H15	50.0°	60.0°
H14	C5	C6	H6	79.6°	60.0°
H14	C5	C6	H15	165.1°	180.0°
H12	C15	C14	H11	0.4°	0.0°
H11	C14	C13	H10	0.9°	0.1°
H10	C13	C12	H9	0.8°	0.0°

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