1P5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C4	sing	1.47Å	1.47Å
N3	C6	sing	1.35Å	1.36Å
N3	C2	sing	1.46Å	1.49Å
C4	C5	sing	1.53Å	1.53Å
C6	C8	sing	1.51Å	1.50Å
C6	O7	doub	1.21Å	1.21Å
C8	C10	sing	1.53Å	1.54Å
C8	C14	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C15	N13	sing	1.39Å	1.40Å
C15	C16	doub	1.39Å	1.40Å	Aromatic
C15	N20	sing	1.33Å	1.33Å	Aromatic
C17	C21	sing	1.48Å	1.48Å	Aromatic
C17	C16	sing	1.40Å	1.41Å	Aromatic
C17	N18	doub	1.34Å	1.34Å	Aromatic
C21	C22	doub	1.40Å	1.41Å	Aromatic
C21	C29	sing	1.41Å	1.40Å	Aromatic
C22	N23	sing	1.34Å	1.34Å	Aromatic
C22	N27	sing	1.37Å	1.38Å	Aromatic
C24	N23	doub	1.31Å	1.33Å	Aromatic
C24	C25	sing	1.40Å	1.41Å	Aromatic
C26	C25	doub	1.36Å	1.36Å	Aromatic
C26	N27	sing	1.36Å	1.37Å	Aromatic
C1	C2	sing	1.53Å	1.54Å
C11	C12	sing	1.53Å	1.54Å
C12	N13	sing	1.47Å	1.48Å
N13	C14	sing	1.47Å	1.47Å
N18	C19	sing	1.32Å	1.31Å	Aromatic
C19	N20	doub	1.32Å	1.32Å	Aromatic
N27	N28	sing	1.40Å	1.39Å	Aromatic
N28	C29	doub	1.31Å	1.32Å	Aromatic
C29	N30	sing	1.39Å	1.39Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C5	H5B	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C24	H24	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
N30	HN30	sing	0.97Å	1.00Å
N30	HN3A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N3	C6	120.7°	120.0°
C4	N3	C2	118.5°	120.0°
N3	C4	C5	111.8°	109.5°
N3	C4	H4	108.7°	109.5°
N3	C4	H4A	108.7°	109.5°
C6	N3	C2	120.8°	120.0°
N3	C6	C8	123.2°	120.0°
N3	C6	O7	120.2°	120.0°
N3	C2	C1	113.2°	109.5°
N3	C2	H2	108.3°	109.5°
N3	C2	H2A	108.3°	109.5°
C5	C4	H4	108.7°	109.5°
C5	C4	H4A	108.7°	109.4°
C4	C5	H5	109.5°	109.5°
C4	C5	H5A	109.5°	109.5°
C4	C5	H5B	109.4°	109.5°
C8	C6	O7	116.6°	120.0°
C6	C8	C10	109.4°	109.6°
C6	C8	C14	103.2°	109.5°
C6	C8	H8	115.1°	109.5°
C10	C8	C14	113.7°	109.3°
C8	C10	C11	112.6°	109.1°
C10	C8	H8	104.9°	109.5°
C8	C10	H10	108.5°	109.5°
C8	C10	H10A	108.4°	109.5°
C8	C14	N13	114.6°	109.5°
C14	C8	H8	110.9°	109.5°
C8	C14	H14	107.8°	109.5°
C8	C14	H14A	107.8°	109.5°
C10	C11	C12	111.2°	109.3°
C11	C10	H10	108.4°	109.5°
C11	C10	H10A	108.5°	109.5°
C10	C11	H11	108.9°	109.4°
C10	C11	H11A	108.9°	109.5°
N13	C15	C16	123.6°	120.5°
N13	C15	N20	118.3°	120.4°
C15	N13	C12	114.9°	111.0°
C15	N13	C14	115.5°	111.0°
C16	C15	N20	118.1°	119.1°
C15	C16	C17	118.2°	118.2°
C15	C16	H16	120.9°	120.9°
C15	N20	C19	122.5°	121.0°
C21	C17	C16	124.3°	120.5°
C21	C17	N18	117.5°	120.6°
C17	C21	C22	130.1°	126.5°
C17	C21	C29	123.6°	126.4°
C16	C17	N18	118.2°	118.9°
C17	C16	H16	120.9°	120.9°
C17	N18	C19	121.9°	120.9°
C22	C21	C29	106.3°	107.1°
C21	C22	N23	133.4°	132.4°
C21	C22	N27	107.3°	106.9°
C21	C29	N28	109.3°	108.6°
C21	C29	N30	124.9°	125.7°
N23	C22	N27	119.4°	120.7°
C22	N23	C24	120.8°	120.8°
C22	N27	C26	121.1°	119.7°
C22	N27	N28	107.6°	108.1°
N23	C24	C25	121.2°	120.1°
N23	C24	H24	119.4°	119.9°
C24	C25	C26	118.5°	119.4°
C25	C24	H24	119.4°	120.0°
C24	C25	H25	120.7°	120.3°
C25	C26	N27	119.0°	119.2°
C25	C26	H26	120.5°	120.4°
C26	C25	H25	120.7°	120.3°
C26	N27	N28	131.3°	132.2°
N27	C26	H26	120.5°	120.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.4°	109.5°
C2	C1	H1B	109.5°	109.5°
C1	C2	H2	108.3°	109.4°
C1	C2	H2A	108.3°	109.5°
C11	C12	N13	112.6°	109.5°
C12	C11	H11	108.9°	109.5°
C12	C11	H11A	108.9°	109.6°
C11	C12	H12	108.4°	109.5°
C11	C12	H12A	108.4°	109.4°
C12	N13	C14	116.0°	111.2°
N13	C12	H12	108.5°	109.4°
N13	C12	H12A	108.4°	109.4°
N13	C14	H14	107.8°	109.5°
N13	C14	H14A	107.8°	109.5°
N18	C19	N20	121.1°	122.0°
N18	C19	H19	119.4°	119.1°
N20	C19	H19	119.5°	119.0°
N27	N28	C29	109.6°	109.3°
N28	C29	N30	125.8°	125.7°
C29	N30	HN30	109.5°	120.0°
C29	N30	HN3A	109.5°	120.0°
H4	C4	H4A	110.2°	109.5°
H5	C5	H5A	109.4°	109.5°
H5	C5	H5B	109.4°	109.4°
H5A	C5	H5B	109.5°	109.4°
H10	C10	H10A	110.5°	109.6°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.4°	109.4°
H1A	C1	H1B	109.5°	109.5°
H2	C2	H2A	110.6°	109.4°
H11	C11	H11A	110.0°	109.6°
H12	C12	H12A	110.5°	109.5°
H14	C14	H14A	111.1°	109.4°
HN30	N30	HN3A	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N3	C6	C2	178.2°	179.8°
N3	C4	C5	H4	120.0°	120.0°
N3	C4	C5	H4A	120.0°	120.0°
C4	N3	C6	C8	0.2°	4.0°
C4	N3	C6	O7	179.1°	176.1°
C4	N3	C2	C1	112.0°	90.0°
N3	C4	H4	H4A	119.0°	120.0°
N3	C4	C5	H5	180.0°	60.0°
N3	C4	C5	H5A	60.0°	60.0°
N3	C4	C5	H5B	60.0°	180.0°
C4	N3	C2	H2	8.0°	150.0°
C4	N3	C2	H2A	128.0°	30.0°
C6	N3	C4	C5	82.6°	85.6°
N3	C6	C8	O7	179.0°	179.9°
N3	C6	C8	C10	140.8°	73.2°
N3	C6	C8	C14	97.9°	167.0°
C6	N3	C2	C1	69.7°	90.2°
C6	N3	C4	H4	37.4°	154.3°
C6	N3	C4	H4A	157.4°	34.3°
N3	C6	C8	H8	23.0°	47.0°
C6	N3	C2	H2	170.3°	29.8°
C6	N3	C2	H2A	50.3°	149.7°
C2	N3	C4	C5	99.1°	94.6°
C2	N3	C6	C8	178.1°	175.8°
C2	N3	C6	O7	0.9°	4.1°
N3	C2	C1	H2	120.0°	120.1°
N3	C2	C1	H2A	120.0°	120.1°
C2	N3	C4	H4	140.9°	25.5°
C2	N3	C4	H4A	20.9°	145.4°
N3	C2	C1	H1	180.0°	180.0°
N3	C2	C1	H1A	60.0°	60.0°
N3	C2	C1	H1B	60.0°	60.0°
N3	C2	H2	H2A	118.5°	120.0°
C5	C4	H4	H4A	119.1°	120.0°
C4	C5	H5	H5A	120.0°	120.0°
C4	C5	H5	H5B	120.0°	120.0°
C4	C5	H5A	H5B	120.0°	120.0°
C6	C8	C10	C14	114.7°	119.9°
C6	C8	C10	H8	124.0°	120.1°
C6	C8	C14	H8	123.8°	120.0°
C6	C8	C10	C11	120.7°	62.3°
C6	C8	C14	N13	167.0°	60.8°
C6	C8	C10	H10	119.3°	177.8°
C6	C8	C10	H10A	0.7°	57.6°
C6	C8	C14	H14	47.0°	59.2°
C6	C8	C14	H14A	73.0°	179.2°
O7	C6	C8	C10	40.2°	106.7°
O7	C6	C8	C14	81.1°	13.1°
O7	C6	C8	H8	158.0°	133.1°
C10	C8	C14	H8	117.9°	120.0°
C8	C10	C11	H10	120.0°	119.9°
C8	C10	C11	H10A	120.0°	119.8°
C8	C10	C11	C12	45.0°	57.7°
C10	C8	C14	N13	48.6°	59.2°
C8	C10	H10	H10A	118.7°	120.1°
C8	C10	C11	H11	165.0°	177.6°
C8	C10	C11	H11A	75.0°	62.3°
C10	C8	C14	H14	71.4°	179.2°
C10	C8	C14	H14A	168.7°	60.9°
C14	C8	C10	C11	6.0°	57.7°
C8	C14	N13	C15	101.7°	174.2°
C8	C14	N13	C12	37.1°	61.7°
C8	C14	N13	H14	120.0°	120.1°
C8	C14	N13	H14A	120.0°	120.0°
C14	C8	C10	H10	126.0°	62.3°
C14	C8	C10	H10A	114.0°	177.5°
C8	C14	H14	H14A	117.9°	119.9°
C10	C11	C12	H11	120.0°	119.8°
C10	C11	C12	H11A	120.0°	119.9°
C10	C11	C12	N13	57.8°	59.2°
C11	C10	C8	H8	115.3°	177.6°
C11	C10	H10	H10A	118.7°	120.2°
C10	C11	H11	H11A	119.3°	120.0°
C10	C11	C12	H12	62.2°	60.8°
C10	C11	C12	H12A	177.8°	179.2°
N13	C15	C16	N20	178.9°	179.7°
N13	C15	C16	C17	178.5°	180.0°
C15	N13	C12	C11	154.5°	174.1°
C15	N13	C12	C14	139.0°	124.1°
N13	C15	N20	C19	180.0°	179.9°
C15	N13	C12	H12	34.6°	65.8°
C15	N13	C12	H12A	85.5°	54.1°
C15	N13	C14	H14	138.3°	54.1°
C15	N13	C14	H14A	18.3°	65.8°
N13	C15	C16	H16	1.5°	0.1°
C15	C16	C17	C21	178.3°	180.0°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	N18	2.0°	0.0°
C16	C15	N13	C12	141.3°	56.1°
C16	C15	N13	C14	2.2°	179.7°
C16	C15	N20	C19	1.1°	0.2°
N20	C15	C16	C17	0.3°	0.3°
N20	C15	N13	C12	39.8°	124.2°
N20	C15	N13	C14	179.0°	0.0°
C15	N20	C19	N18	0.8°	0.1°
N20	C15	C16	H16	179.7°	179.8°
C15	N20	C19	H19	179.2°	179.8°
C21	C17	C16	N18	176.3°	180.0°
C17	C21	C22	C29	177.1°	179.7°
C17	C21	C22	N23	2.6°	0.1°
C17	C21	C22	N27	177.5°	180.0°
C21	C17	N18	C19	178.9°	179.7°
C17	C21	C29	N28	177.4°	179.9°
C17	C21	C29	N30	1.9°	0.0°
C21	C17	C16	H16	1.7°	0.0°
C16	C17	C21	C22	0.2°	5.6°
C16	C17	C21	C29	176.9°	174.1°
C16	C17	N18	C19	2.3°	0.3°
N18	C17	C21	C22	176.1°	174.4°
N18	C17	C21	C29	0.6°	5.9°
C17	N18	C19	N20	1.0°	0.3°
N18	C17	C16	H16	178.0°	180.0°
C17	N18	C19	H19	179.0°	180.0°
C21	C22	N23	N27	179.9°	180.0°
C21	C22	N23	C24	179.6°	179.9°
C21	C22	N27	C26	179.8°	180.0°
C21	C22	N27	N28	0.6°	0.0°
C22	C21	C29	N28	0.0°	0.4°
C22	C21	C29	N30	179.2°	179.8°
C29	C21	C22	N23	179.7°	179.8°
C29	C21	C22	N27	0.4°	0.3°
C21	C29	N28	N27	0.3°	0.4°
C21	C29	N28	N30	179.3°	179.8°
C21	C29	N30	HN30	179.2°	5.1°
C21	C29	N30	HN3A	59.2°	174.9°
C22	N23	C24	C25	0.3°	0.1°
N23	C22	N27	C26	0.1°	0.0°
N23	C22	N27	N28	179.5°	180.0°
C22	N23	C24	H24	179.7°	180.0°
N27	C22	N23	C24	0.6°	0.0°
C22	N27	C26	C25	1.0°	0.0°
C22	N27	C26	N28	179.5°	180.0°
C22	N27	N28	C29	0.6°	0.2°
C22	N27	C26	H26	179.0°	180.0°
N23	C24	C25	H24	180.0°	179.9°
N23	C24	C25	C26	0.6°	0.0°
N23	C24	C25	H25	179.4°	180.0°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	N27	1.2°	0.0°
C24	C25	C26	H26	178.8°	180.0°
C25	C26	N27	H26	180.0°	180.0°
C25	C26	N27	N28	178.5°	180.0°
C26	C25	C24	H24	179.4°	180.0°
C26	N27	N28	C29	179.9°	179.7°
N27	C26	C25	H25	178.8°	180.0°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	H2	H2A	118.5°	119.9°
C11	C12	N13	H12	120.0°	120.0°
C11	C12	N13	H12A	120.0°	120.0°
C11	C12	N13	C14	15.6°	61.8°
C12	C11	C10	H10	75.0°	62.2°
C12	C11	C10	H10A	165.0°	177.6°
C12	C11	H11	H11A	119.3°	120.2°
C11	C12	H12	H12A	118.7°	120.0°
N13	C12	C11	H11	177.8°	179.1°
N13	C12	C11	H11A	62.2°	60.7°
N13	C12	H12	H12A	118.7°	120.0°
C12	N13	C14	H14	82.9°	178.2°
C12	N13	C14	H14A	157.1°	58.3°
N13	C14	C8	H8	69.3°	179.2°
C14	N13	C12	H12	104.4°	58.3°
C14	N13	C12	H12A	135.6°	178.3°
N13	C14	H14	H14A	117.9°	120.0°
N18	C19	N20	H19	180.0°	179.7°
N27	N28	C29	N30	179.6°	179.8°
N28	N27	C26	H26	1.5°	0.0°
N28	C29	N30	HN30	0.0°	174.7°
N28	C29	N30	HN3A	120.0°	5.3°
C29	N30	HN30	HN3A	120.0°	179.9°
H4	C4	C5	H5	60.0°	179.9°
H4	C4	C5	H5A	180.0°	60.0°
H4	C4	C5	H5B	60.0°	60.0°
H4A	C4	C5	H5	60.0°	60.0°
H4A	C4	C5	H5A	60.0°	180.0°
H4A	C4	C5	H5B	180.0°	60.0°
H5	C5	H5A	H5B	120.0°	119.9°
H8	C8	C10	H10	4.7°	57.7°
H8	C8	C10	H10A	124.7°	62.5°
H8	C8	C14	H14	170.7°	60.8°
H8	C8	C14	H14A	50.7°	59.1°
H10	C10	C11	H11	45.0°	57.7°
H10	C10	C11	H11A	164.9°	177.8°
H10A	C10	C11	H11	75.0°	62.5°
H10A	C10	C11	H11A	44.9°	57.6°
H24	C24	C25	H25	0.6°	0.0°
H26	C26	C25	H25	1.2°	0.0°
H1	C1	H1A	H1B	120.0°	120.0°
H1	C1	C2	H2	60.0°	59.9°
H1	C1	C2	H2A	60.0°	60.0°
H1A	C1	C2	H2	180.0°	179.9°
H1A	C1	C2	H2A	60.0°	60.1°
H1B	C1	C2	H2	60.0°	60.0°
H1B	C1	C2	H2A	180.0°	179.9°
H11	C11	C12	H12	57.8°	59.1°
H11	C11	C12	H12A	62.2°	61.0°
H11A	C11	C12	H12	177.8°	179.3°
H11A	C11	C12	H12A	57.8°	59.3°

Definition date:	2009-08-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3IO7