6Z1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C4	doub	1.21Å	1.23Å
C4	C3	sing	1.48Å	1.49Å
C4	N	sing	1.35Å	1.37Å
C3	C2	sing	1.42Å	1.40Å	Aromatic
C3	N2	doub	1.31Å	1.32Å	Aromatic
C2	C1	doub	1.35Å	1.34Å	Aromatic
N2	O4	sing	1.21Å	1.42Å	Aromatic
O4	C1	sing	1.34Å	1.35Å	Aromatic
C1	C	sing	1.51Å	1.48Å
N	C5	sing	1.40Å	1.42Å
C5	C10	sing	1.39Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
C9	C11	sing	1.48Å	1.49Å
C8	O2	sing	1.36Å	1.36Å
C8	C7	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C11	N1	doub	1.33Å	1.35Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
N1	C15	sing	1.32Å	1.34Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.40Å	1.39Å	Aromatic
C13	C12	doub	1.40Å	1.39Å	Aromatic
C13	C16	sing	1.48Å	1.48Å
C16	O1	doub	1.21Å	1.22Å
C16	O	sing	1.35Å	1.30Å
O2	H16	sing	0.97Å	0.95Å
N	H	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
C	HC1	sing	1.09Å	1.10Å
C	HC2	sing	1.09Å	1.10Å
C	HC3	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
O	HA	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C4	C3	121.0°	120.0°
O3	C4	N	124.4°	120.0°
C3	C4	N	114.7°	120.0°
C4	C3	C2	126.9°	126.9°
C4	C3	N2	121.2°	127.0°
C4	N	C5	129.5°	120.0°
C4	N	H	115.2°	120.0°
C2	C3	N2	111.9°	106.2°
C3	C2	C1	105.3°	103.9°
C3	C2	H2	127.3°	128.1°
C3	N2	O4	104.4°	111.4°
C2	C1	O4	109.8°	106.7°
C2	C1	C	134.0°	126.6°
C1	C2	H2	127.3°	128.0°
N2	O4	C1	108.6°	111.9°
O4	C1	C	116.2°	126.7°
C1	C	HC1	109.5°	109.5°
C1	C	HC2	109.5°	109.4°
C1	C	HC3	109.4°	109.5°
N	C5	C10	117.6°	119.9°
N	C5	C6	123.3°	120.0°
C5	N	H	115.2°	120.0°
C10	C5	C6	119.1°	120.1°
C5	C10	C9	122.0°	119.8°
C5	C10	H10	119.0°	120.1°
C5	C6	C7	120.1°	120.2°
C5	C6	H6	120.0°	119.9°
C10	C9	C8	117.6°	119.8°
C10	C9	C11	119.7°	120.1°
C9	C10	H10	119.0°	120.1°
C8	C9	C11	122.1°	120.1°
C9	C8	O2	120.3°	120.1°
C9	C8	C7	120.6°	119.9°
C9	C11	N1	116.9°	119.7°
C9	C11	C12	120.4°	119.7°
O2	C8	C7	119.1°	120.0°
C8	O2	H16	109.5°	114.0°
C8	C7	C6	120.5°	120.1°
C8	C7	H7	119.8°	120.0°
C7	C6	H6	120.0°	119.9°
C6	C7	H7	119.7°	119.9°
N1	C11	C12	122.5°	120.7°
C11	N1	C15	117.4°	121.9°
C11	C12	C13	119.1°	118.9°
C11	C12	H12	120.4°	120.6°
N1	C15	C14	123.8°	121.1°
N1	C15	H15	118.1°	119.5°
C15	C14	C13	118.5°	119.2°
C14	C15	H15	118.1°	119.4°
C15	C14	H14	120.7°	120.4°
C14	C13	C12	118.6°	118.2°
C14	C13	C16	121.3°	120.9°
C13	C14	H14	120.7°	120.4°
C12	C13	C16	119.9°	120.9°
C13	C12	H12	120.5°	120.5°
C13	C16	O1	121.4°	120.0°
C13	C16	O	115.0°	120.0°
O1	C16	O	123.3°	120.0°
C16	O	HA	109.5°	116.9°
HC1	C	HC2	109.5°	109.5°
HC1	C	HC3	109.4°	109.5°
HC2	C	HC3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C4	C3	N	179.3°	179.7°
O3	C4	C3	C2	1.7°	0.1°
O3	C4	C3	N2	180.0°	179.7°
O3	C4	N	C5	13.5°	5.1°
O3	C4	N	H	166.5°	174.9°
C4	C3	C2	N2	178.4°	179.8°
C4	C3	C2	C1	177.9°	180.0°
C4	C3	N2	O4	178.1°	180.0°
C3	C4	N	C5	167.2°	174.6°
C3	C4	N	H	12.8°	5.5°
C4	C3	C2	H2	2.2°	0.0°
N	C4	C3	C2	178.9°	179.7°
N	C4	C3	N2	0.7°	0.0°
C4	N	C5	H	180.0°	180.0°
C4	N	C5	C10	177.3°	147.1°
C4	N	C5	C6	2.4°	33.2°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	N2	O4	0.4°	0.2°
C3	C2	C1	O4	0.4°	0.2°
C3	C2	C1	C	179.1°	180.0°
N2	C3	C2	C1	0.5°	0.2°
C3	N2	O4	C1	0.2°	0.1°
N2	C3	C2	H2	179.4°	179.8°
C2	C1	O4	N2	0.1°	0.1°
C2	C1	O4	C	179.6°	179.8°
C2	C1	C	HC1	179.5°	90.0°
C2	C1	C	HC2	60.5°	150.0°
C2	C1	C	HC3	59.5°	30.1°
N2	O4	C1	C	179.5°	179.9°
O4	C1	C2	H2	179.6°	179.8°
O4	C1	C	HC1	0.0°	89.8°
O4	C1	C	HC2	120.0°	30.2°
O4	C1	C	HC3	120.0°	150.1°
C	C1	C2	H2	0.9°	0.0°
C1	C	HC1	HC2	120.0°	120.0°
C1	C	HC1	HC3	120.0°	120.1°
C1	C	HC2	HC3	120.0°	119.9°
N	C5	C10	C6	179.7°	179.7°
N	C5	C10	C9	177.0°	180.0°
N	C5	C6	C7	179.7°	179.7°
N	C5	C10	H10	3.0°	0.0°
N	C5	C6	H6	0.3°	0.0°
C5	C10	C9	H10	180.0°	180.0°
C5	C10	C9	C8	3.4°	0.0°
C5	C10	C9	C11	168.2°	180.0°
C10	C5	C6	C7	0.0°	0.6°
C10	C5	N	H	2.7°	32.9°
C10	C5	C6	H6	180.0°	179.7°
C6	C5	C10	C9	2.8°	0.3°
C5	C6	C7	C8	1.9°	0.6°
C5	C6	C7	H6	180.0°	179.7°
C6	C5	N	H	177.6°	146.8°
C6	C5	C10	H10	177.2°	179.7°
C5	C6	C7	H7	178.1°	179.7°
C10	C9	C8	C11	171.4°	180.0°
C10	C9	C8	O2	178.9°	180.0°
C10	C9	C8	C7	1.5°	0.0°
C10	C9	C11	N1	155.7°	133.4°
C10	C9	C11	C12	30.2°	46.3°
C9	C8	O2	C7	177.5°	180.0°
C9	C8	C7	C6	1.2°	0.3°
C8	C9	C11	N1	33.1°	46.5°
C8	C9	C11	C12	141.0°	133.7°
C9	C8	O2	H16	180.0°	89.9°
C8	C9	C10	H10	176.5°	180.0°
C9	C8	C7	H7	178.9°	180.0°
C11	C9	C8	O2	7.5°	0.1°
C11	C9	C8	C7	170.0°	180.0°
C9	C11	N1	C12	174.0°	179.8°
C9	C11	N1	C15	171.8°	180.0°
C9	C11	C12	C13	170.4°	179.8°
C11	C9	C10	H10	11.8°	0.0°
C9	C11	C12	H12	9.6°	0.1°
O2	C8	C7	C6	176.4°	179.7°
O2	C8	C7	H7	3.6°	0.1°
C8	C7	C6	H7	180.0°	179.7°
C7	C8	O2	H16	2.5°	90.0°
C8	C7	C6	H6	178.1°	179.7°
C11	N1	C15	C14	0.2°	0.0°
N1	C11	C12	C13	3.4°	0.5°
N1	C11	C12	H12	176.6°	179.8°
C11	N1	C15	H15	179.8°	180.0°
C12	C11	N1	C15	2.1°	0.2°
C11	C12	C13	C14	2.3°	0.5°
C11	C12	C13	H12	180.0°	179.7°
C11	C12	C13	C16	178.3°	179.7°
N1	C15	C14	H15	180.0°	180.0°
N1	C15	C14	C13	1.2°	0.0°
N1	C15	C14	H14	178.8°	180.0°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.2°
C15	C14	C13	C16	176.0°	180.0°
C14	C13	C12	C16	176.0°	179.8°
C14	C13	C16	O1	19.3°	180.0°
C14	C13	C16	O	166.4°	0.0°
C14	C13	C12	H12	177.7°	179.8°
C13	C14	C15	H15	178.8°	180.0°
C12	C13	C16	O1	164.8°	0.3°
C12	C13	C16	O	9.5°	179.8°
C12	C13	C14	H14	179.9°	179.8°
C13	C16	O1	O	173.8°	180.0°
C16	C13	C12	H12	1.7°	0.0°
C16	C13	C14	H14	4.0°	0.0°
C13	C16	O	HA	174.2°	180.0°
O1	C16	O	HA	0.0°	0.0°
HC1	C	HC2	HC3	120.0°	120.0°
H6	C6	C7	H7	1.9°	0.0°
H15	C15	C14	H14	1.2°	0.0°

Release date:	2016-01-13
Definition date:	2015-07-09
Last modified:	2016-01-08
Release status:	REL
Processing site:	EBI
Derived from:	5A7P