1WP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.52Å	1.54Å
C3	C2	sing	1.52Å	1.54Å
C4	C5	sing	1.53Å	1.55Å
C2	O9	sing	1.45Å	1.45Å
C2	C1	sing	1.52Å	1.55Å
C5	C6	sing	1.51Å	1.55Å
O9	C8	sing	1.35Å	1.36Å
C11	C12	doub	1.38Å	1.42Å	Aromatic
C11	C10	sing	1.38Å	1.42Å	Aromatic
C6	C1	sing	1.50Å	1.55Å
C12	C13	sing	1.38Å	1.42Å	Aromatic
C1	C10	sing	1.51Å	1.54Å
C1	N7	sing	1.47Å	1.45Å
C10	C15	doub	1.38Å	1.42Å	Aromatic
C13	C14	doub	1.39Å	1.42Å	Aromatic
C18	N19	doub	1.32Å	1.35Å	Aromatic
C18	C16	sing	1.39Å	1.42Å	Aromatic
C15	C14	sing	1.39Å	1.42Å	Aromatic
C14	C16	sing	1.48Å	1.41Å
N19	C20	sing	1.32Å	1.35Å	Aromatic
C8	N7	doub	1.30Å	1.33Å
C8	N17	sing	1.37Å	1.33Å
C16	C22	doub	1.40Å	1.42Å	Aromatic
C20	C21	doub	1.38Å	1.41Å	Aromatic
C22	C21	sing	1.39Å	1.42Å	Aromatic
C21	CL1	sing	1.74Å	1.71Å
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
N17	H15	sing	0.97Å	1.00Å
C18	H16	sing	1.08Å	1.08Å
C20	H17	sing	1.08Å	1.08Å
C22	H18	sing	1.08Å	1.08Å
N17	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	114.2°	112.4°
C3	C4	C5	116.7°	108.6°
C4	C3	H2	108.3°	108.9°
C4	C3	H3	108.3°	108.9°
C3	C4	H4	107.6°	109.7°
C3	C4	H5	107.6°	109.6°
C3	C2	O9	105.6°	107.8°
C3	C2	C1	113.8°	114.5°
C3	C2	H1	110.7°	111.4°
C2	C3	H2	108.3°	108.9°
C2	C3	H3	108.3°	108.9°
C4	C5	C6	113.0°	108.1°
C5	C4	H4	107.6°	109.6°
C5	C4	H5	107.6°	109.6°
C4	C5	H6	108.6°	109.7°
C4	C5	H7	108.6°	109.7°
O9	C2	C1	103.8°	100.5°
C2	O9	C8	108.0°	107.0°
O9	C2	H1	112.1°	111.1°
C2	C1	C6	116.7°	116.0°
C2	C1	C10	106.8°	108.4°
C2	C1	N7	103.4°	102.8°
C1	C2	H1	110.5°	111.0°
C5	C6	C1	111.7°	113.6°
C6	C5	H6	108.6°	109.7°
C6	C5	H7	108.6°	109.9°
C5	C6	H8	108.9°	108.8°
C5	C6	H9	108.9°	108.8°
O9	C8	N7	113.9°	113.5°
O9	C8	N17	119.3°	123.2°
C12	C11	C10	120.4°	120.3°
C11	C12	C13	121.0°	120.1°
C12	C11	H11	119.8°	119.9°
C11	C12	H12	119.5°	120.0°
C11	C10	C1	122.5°	119.9°
C11	C10	C15	118.3°	120.1°
C10	C11	H11	119.8°	119.9°
C6	C1	C10	115.3°	108.5°
C6	C1	N7	103.9°	112.5°
C1	C6	H8	108.9°	108.5°
C1	C6	H9	108.9°	108.3°
C12	C13	C14	119.2°	119.9°
C13	C12	H12	119.5°	119.9°
C12	C13	H13	120.4°	120.0°
C10	C1	N7	110.1°	108.3°
C1	C10	C15	119.2°	119.9°
C1	N7	C8	109.5°	107.5°
C10	C15	C14	121.7°	119.8°
C10	C15	H14	119.2°	120.1°
C13	C14	C15	119.4°	119.8°
C13	C14	C16	122.9°	120.1°
C14	C13	H13	120.4°	120.1°
N19	C18	C16	122.4°	120.6°
C18	N19	C20	120.1°	121.8°
N19	C18	H16	118.8°	119.7°
C18	C16	C14	120.9°	120.5°
C18	C16	C22	117.7°	118.9°
C16	C18	H16	118.8°	119.7°
C15	C14	C16	117.6°	120.1°
C14	C15	H14	119.1°	120.1°
C14	C16	C22	121.2°	120.6°
N19	C20	C21	121.6°	121.0°
N19	C20	H17	119.2°	119.5°
N7	C8	N17	125.3°	123.3°
C8	N17	H15	120.0°	119.9°
C8	N17	H10	120.0°	120.0°
C16	C22	C21	119.2°	118.4°
C16	C22	H18	120.4°	120.8°
C20	C21	C22	118.9°	119.2°
C20	C21	CL1	119.8°	120.4°
C21	C20	H17	119.2°	119.5°
C22	C21	CL1	121.3°	120.4°
C21	C22	H18	120.4°	120.8°
H2	C3	H3	109.4°	108.8°
H4	C4	H5	109.5°	109.8°
H6	C5	H7	109.5°	109.7°
H8	C6	H9	109.5°	108.7°
H15	N17	H10	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H2	120.7°	120.8°
C4	C3	C2	H3	120.7°	120.8°
C3	C4	C5	H4	121.1°	119.8°
C3	C4	C5	H5	121.0°	119.7°
C4	C3	C2	O9	65.8°	154.6°
C4	C3	C2	C1	47.3°	43.7°
C3	C4	C5	C6	19.2°	65.1°
C4	C3	C2	H1	172.6°	83.3°
C4	C3	H2	H3	117.9°	118.6°
C3	C4	H4	H5	116.7°	120.5°
C3	C4	C5	H6	101.3°	54.5°
C3	C4	C5	H7	139.8°	175.0°
C2	C3	C4	C5	31.4°	59.2°
C3	C2	O9	C1	120.0°	120.2°
C3	C2	O9	H1	120.7°	122.4°
C3	C2	C1	H1	125.3°	127.2°
C3	C2	O9	C8	132.0°	92.1°
C3	C2	C1	C6	11.9°	35.0°
C3	C2	C1	C10	118.6°	157.2°
C3	C2	C1	N7	125.3°	88.3°
C2	C3	H2	H3	117.8°	118.5°
C2	C3	C4	H4	89.6°	179.0°
C2	C3	C4	H5	152.5°	60.4°
C4	C5	C6	H6	120.5°	119.6°
C4	C5	C6	H7	120.5°	119.7°
C4	C5	C6	C1	53.9°	57.1°
C5	C4	C3	H2	89.3°	61.5°
C5	C4	C3	H3	152.2°	180.0°
C5	C4	H4	H5	116.7°	120.4°
C4	C5	H6	H7	118.4°	120.6°
C4	C5	C6	H8	174.3°	64.0°
C4	C5	C6	H9	66.4°	177.8°
O9	C2	C1	H1	120.4°	117.6°
O9	C2	C1	C6	102.3°	150.2°
O9	C2	C1	C10	127.1°	87.6°
O9	C2	C1	N7	11.0°	26.9°
C2	O9	C8	N7	8.9°	19.2°
C2	O9	C8	N17	175.7°	160.9°
O9	C2	C3	H2	173.4°	33.8°
O9	C2	C3	H3	54.9°	84.6°
C2	C1	C6	C5	38.1°	42.4°
C1	C2	O9	C8	12.0°	28.1°
C2	C1	C10	C11	115.8°	56.3°
C2	C1	C6	C10	126.5°	122.2°
C2	C1	C6	N7	113.0°	118.0°
C2	C1	C10	N7	111.6°	110.9°
C2	C1	C10	C15	62.7°	123.4°
C2	C1	N7	C8	6.4°	17.6°
C1	C2	C3	H2	73.4°	77.1°
C1	C2	C3	H3	168.1°	164.5°
C2	C1	C6	H8	158.4°	78.8°
C2	C1	C6	H9	82.2°	163.4°
C5	C6	C1	H8	120.3°	121.2°
C5	C6	C1	H9	120.3°	121.0°
C5	C6	C1	C10	164.6°	164.6°
C5	C6	C1	N7	74.9°	75.6°
C6	C5	C4	H4	140.3°	175.1°
C6	C5	C4	H5	101.8°	54.6°
C6	C5	H6	H7	118.4°	120.8°
C5	C6	H8	H9	119.0°	118.3°
O9	C8	N7	C1	1.2°	0.2°
O9	C8	N7	N17	165.9°	180.0°
C8	O9	C2	H1	107.3°	145.5°
O9	C8	N17	H15	0.0°	180.0°
O9	C8	N17	H10	180.0°	0.1°
C12	C11	C10	H11	180.0°	179.9°
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C10	C1	178.9°	180.0°
C12	C11	C10	C15	0.3°	0.3°
C11	C12	C13	C14	0.4°	0.0°
C11	C12	C13	H13	179.6°	180.0°
C11	C10	C1	C6	15.6°	70.4°
C10	C11	C12	C13	0.4°	0.1°
C11	C10	C1	C15	178.5°	179.7°
C11	C10	C1	N7	132.6°	167.2°
C11	C10	C15	C14	0.3°	0.5°
C10	C11	C12	H12	179.6°	179.9°
C11	C10	C15	H14	179.7°	179.7°
C6	C1	C10	N7	117.1°	122.4°
C6	C1	C10	C15	165.9°	109.9°
C6	C1	N7	C8	115.9°	143.1°
C6	C1	C2	H1	137.3°	92.3°
C1	C6	C5	H6	66.6°	62.5°
C1	C6	C5	H7	174.5°	176.8°
C1	C6	H8	H9	119.0°	117.5°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.4°	0.2°
C12	C13	C14	C16	177.4°	180.0°
C13	C12	C11	H11	179.6°	180.0°
C1	C10	C15	C14	178.9°	179.8°
C10	C1	N7	C8	120.2°	97.0°
C10	C1	C2	H1	6.7°	30.0°
C10	C1	C6	H8	75.1°	43.4°
C10	C1	C6	H9	44.3°	74.4°
C1	C10	C11	H11	1.1°	0.1°
C1	C10	C15	H14	1.2°	0.0°
N7	C1	C10	C15	48.8°	12.5°
C1	N7	C8	N17	167.0°	179.8°
N7	C1	C2	H1	109.4°	144.5°
N7	C1	C6	H8	45.4°	163.2°
N7	C1	C6	H9	164.7°	45.4°
C10	C15	C14	C13	0.3°	0.4°
C10	C15	C14	H14	180.0°	179.8°
C10	C15	C14	C16	177.5°	179.8°
C15	C10	C11	H11	179.6°	179.8°
C13	C14	C16	C18	38.0°	179.7°
C13	C14	C15	C16	177.2°	179.8°
C13	C14	C16	C22	147.8°	0.0°
C14	C13	C12	H12	179.6°	180.0°
C13	C14	C15	H14	179.7°	179.7°
N19	C18	C16	H16	180.0°	180.0°
N19	C18	C16	C14	177.0°	180.0°
N19	C18	C16	C22	2.7°	0.3°
C18	N19	C20	C21	0.4°	0.0°
C18	N19	C20	H17	179.6°	180.0°
C18	C16	C14	C15	139.0°	0.5°
C18	C16	C14	C22	174.1°	179.7°
C16	C18	N19	C20	2.0°	0.0°
C18	C16	C22	C21	1.9°	0.5°
C18	C16	C22	H18	178.1°	179.7°
C15	C14	C16	C22	35.1°	179.8°
C15	C14	C13	H13	179.6°	179.8°
C14	C16	C22	C21	176.2°	179.8°
C16	C14	C13	H13	2.6°	0.0°
C16	C14	C15	H14	2.5°	0.1°
C14	C16	C18	H16	3.0°	0.0°
C14	C16	C22	H18	3.8°	0.0°
N19	C20	C21	H17	180.0°	180.0°
N19	C20	C21	C22	0.4°	0.2°
N19	C20	C21	CL1	179.3°	179.9°
C20	N19	C18	H16	178.0°	180.0°
N7	C8	N17	H15	165.1°	0.1°
N7	C8	N17	H10	14.8°	180.0°
C8	N17	H15	H10	180.0°	179.9°
C16	C22	C21	C20	0.4°	0.5°
C16	C22	C21	H18	180.0°	179.8°
C16	C22	C21	CL1	179.9°	179.7°
C22	C16	C18	H16	177.3°	179.7°
C20	C21	C22	CL1	179.7°	179.8°
C20	C21	C22	H18	179.6°	179.7°
C22	C21	C20	H17	179.6°	179.8°
CL1	C21	C20	H17	0.7°	0.0°
CL1	C21	C22	H18	0.1°	0.1°
H1	C2	C3	H2	51.8°	156.0°
H1	C2	C3	H3	66.7°	37.5°
H2	C3	C4	H4	149.7°	58.2°
H2	C3	C4	H5	31.8°	178.8°
H3	C3	C4	H4	31.1°	60.3°
H3	C3	C4	H5	86.8°	60.3°
H4	C4	C5	H6	19.8°	65.3°
H4	C4	C5	H7	99.2°	55.3°
H5	C4	C5	H6	137.7°	174.2°
H5	C4	C5	H7	18.7°	65.3°
H6	C5	C6	H8	53.8°	176.4°
H6	C5	C6	H9	173.1°	58.2°
H7	C5	C6	H8	65.2°	55.7°
H7	C5	C6	H9	54.2°	62.5°
H11	C11	C12	H12	0.4°	0.1°
H12	C12	C13	H13	0.4°	0.0°

Release date:	2013-09-18
Definition date:	2013-07-11
Last modified:	2013-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	4LC7