QIU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
O	C14	doub	1.21Å	1.25Å
C14	O1	sing	1.35Å	1.25Å
C14	C13	sing	1.48Å	1.51Å
C13	C12	doub	1.40Å	1.39Å	Aromatic
C13	C15	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C15	C9	doub	1.39Å	1.40Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.48Å	1.49Å
C9	C10	sing	1.40Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.39Å	Aromatic
C8	C16	doub	1.39Å	1.39Å	Aromatic
C16	C4	sing	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.51Å
C3	C2	sing	1.53Å	1.52Å
C2	N	sing	1.47Å	1.46Å
N	C1	sing	1.35Å	1.33Å
C1	C	sing	1.51Å	1.50Å
C1	O2	doub	1.21Å	1.23Å
N	H3	sing	0.97Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C10	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C6	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
O1	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	120.3°	120.1°
C6	C7	C8	120.6°	119.9°
C7	C6	H9	119.9°	120.0°
C6	C7	H10	119.7°	120.1°
C6	C5	C4	120.7°	120.2°
C6	C5	H8	119.7°	119.9°
C5	C6	H9	119.9°	119.9°
C7	C8	C9	121.3°	120.1°
C7	C8	C16	118.2°	119.8°
C8	C7	H10	119.7°	120.0°
O	C14	O1	124.3°	120.0°
O	C14	C13	117.8°	120.0°
O1	C14	C13	117.9°	120.0°
C14	O1	H16	109.5°	117.0°
C14	C13	C12	120.7°	120.1°
C14	C13	C15	120.1°	120.1°
C12	C13	C15	119.2°	119.8°
C13	C12	C11	120.2°	120.0°
C13	C12	H13	119.9°	119.9°
C13	C15	C9	121.3°	119.7°
C13	C15	H14	119.4°	120.1°
C12	C11	C10	120.3°	120.3°
C12	C11	H12	119.8°	119.8°
C11	C12	H13	119.9°	120.0°
C15	C9	C8	120.3°	120.1°
C15	C9	C10	118.3°	119.9°
C9	C15	H14	119.3°	120.1°
C11	C10	C9	120.7°	120.1°
C11	C10	H11	119.6°	120.0°
C10	C11	H12	119.8°	119.9°
C8	C9	C10	121.3°	120.0°
C9	C8	C16	120.5°	120.1°
C9	C10	H11	119.7°	119.9°
C5	C4	C16	118.4°	120.1°
C5	C4	C3	121.3°	120.0°
C4	C5	H8	119.7°	119.9°
C8	C16	C4	121.9°	119.9°
C8	C16	H15	119.0°	120.0°
C16	C4	C3	120.3°	119.9°
C4	C16	H15	119.0°	120.1°
C4	C3	C2	114.1°	109.5°
C4	C3	H7	108.3°	109.5°
C4	C3	H6	108.3°	109.4°
C3	C2	N	112.4°	109.5°
C3	C2	H5	108.7°	109.5°
C3	C2	H4	108.7°	109.5°
C2	C3	H7	108.3°	109.5°
C2	C3	H6	108.3°	109.5°
C2	N	C1	123.3°	120.0°
C2	N	H3	118.4°	120.0°
N	C2	H5	108.7°	109.5°
N	C2	H4	108.7°	109.5°
N	C1	C	116.1°	120.0°
N	C1	O2	122.0°	120.0°
C1	N	H3	118.3°	120.0°
C	C1	O2	121.9°	120.0°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H2	109.5°	109.4°
H1	C	H	109.5°	109.5°
H1	C	H2	109.4°	109.5°
H	C	H2	109.5°	109.4°
H5	C2	H4	109.5°	109.5°
H7	C3	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H9	180.0°	179.8°
C6	C7	C8	H10	180.0°	179.8°
C6	C7	C8	C9	177.5°	180.0°
C7	C6	C5	C4	0.4°	0.0°
C6	C7	C8	C16	0.7°	0.5°
C7	C6	C5	H8	179.6°	179.9°
C5	C6	C7	C8	0.2°	0.2°
C6	C5	C4	H8	180.0°	180.0°
C6	C5	C4	C16	0.7°	0.0°
C6	C5	C4	C3	177.9°	180.0°
C5	C6	C7	H10	179.8°	180.0°
C7	C8	C9	C15	143.7°	0.0°
C7	C8	C9	C16	178.2°	179.5°
C7	C8	C9	C10	34.9°	179.5°
C7	C8	C16	C4	0.5°	0.5°
C7	C8	C16	H15	179.6°	179.8°
C8	C7	C6	H9	179.7°	180.0°
O	C14	O1	C13	179.9°	179.9°
O	C14	C13	C12	2.2°	180.0°
O	C14	C13	C15	176.9°	0.2°
O	C14	O1	H16	0.0°	0.1°
O1	C14	C13	C12	177.8°	0.1°
O1	C14	C13	C15	3.2°	179.9°
C14	C13	C12	C15	179.1°	179.8°
C14	C13	C12	C11	178.9°	180.0°
C14	C13	C15	C9	178.7°	179.7°
C14	C13	C12	H13	1.1°	0.1°
C14	C13	C15	H14	1.3°	0.2°
C13	C14	O1	H16	179.9°	180.0°
C13	C12	C11	H13	180.0°	179.9°
C12	C13	C15	C9	0.3°	0.1°
C13	C12	C11	C10	0.1°	0.1°
C13	C12	C11	H12	180.0°	179.9°
C12	C13	C15	H14	179.7°	180.0°
C15	C13	C12	C11	0.1°	0.1°
C13	C15	C9	H14	180.0°	179.9°
C13	C15	C9	C8	178.3°	180.0°
C13	C15	C9	C10	0.3°	0.4°
C15	C13	C12	H13	179.8°	179.9°
C12	C11	C10	H12	180.0°	180.0°
C12	C11	C10	C9	0.1°	0.2°
C12	C11	C10	H11	179.9°	180.0°
C15	C9	C10	C11	0.1°	0.5°
C15	C9	C8	C10	178.6°	179.6°
C15	C9	C8	C16	34.5°	179.5°
C15	C9	C10	H11	179.9°	179.8°
C11	C10	C9	C8	178.5°	180.0°
C11	C10	C9	H11	180.0°	179.8°
C10	C11	C12	H13	180.0°	180.0°
C9	C8	C16	C4	177.8°	180.0°
C8	C9	C10	H11	1.5°	0.2°
C8	C9	C15	H14	1.7°	0.1°
C9	C8	C16	H15	2.2°	0.3°
C9	C8	C7	H10	2.5°	0.2°
C10	C9	C8	C16	147.0°	1.0°
C9	C10	C11	H12	180.0°	179.8°
C10	C9	C15	H14	179.7°	179.7°
C5	C4	C16	C8	0.2°	0.2°
C5	C4	C16	C3	178.6°	180.0°
C5	C4	C3	C2	6.2°	90.0°
C5	C4	C16	H15	179.8°	180.0°
C5	C4	C3	H7	114.5°	150.0°
C5	C4	C3	H6	126.8°	30.0°
C4	C5	C6	H9	179.6°	179.8°
C8	C16	C4	H15	180.0°	179.7°
C8	C16	C4	C3	178.3°	179.8°
C16	C8	C7	H10	179.3°	179.7°
C16	C4	C3	C2	172.4°	90.0°
C16	C4	C3	H7	67.0°	30.0°
C16	C4	C3	H6	51.7°	150.0°
C16	C4	C5	H8	179.3°	179.9°
C4	C3	C2	H7	120.7°	120.1°
C4	C3	C2	H6	120.7°	120.0°
C4	C3	C2	N	62.7°	180.0°
C3	C4	C16	H15	1.7°	0.0°
C4	C3	C2	H5	57.7°	60.0°
C4	C3	C2	H4	176.8°	60.0°
C4	C3	H7	H6	117.9°	120.0°
C3	C4	C5	H8	2.1°	0.1°
C3	C2	N	H5	120.4°	120.0°
C3	C2	N	H4	120.4°	120.0°
C3	C2	N	C1	68.9°	180.0°
C3	C2	N	H3	111.1°	0.3°
C3	C2	H5	H4	118.7°	120.0°
C2	C3	H7	H6	117.9°	120.0°
C2	N	C1	H3	180.0°	179.7°
C2	N	C1	C	176.4°	179.7°
C2	N	C1	O2	3.5°	0.2°
N	C2	H5	H4	118.7°	120.0°
N	C2	C3	H7	176.6°	59.9°
N	C2	C3	H6	57.9°	60.0°
N	C1	C	O2	179.8°	179.9°
N	C1	C	H1	179.8°	0.1°
N	C1	C	H	60.1°	120.0°
N	C1	C	H2	59.8°	120.1°
C1	N	C2	H5	170.6°	60.0°
C1	N	C2	H4	51.5°	60.0°
C	C1	N	H3	3.6°	0.0°
C1	C	H1	H	120.0°	120.1°
C1	C	H1	H2	120.0°	119.9°
C1	C	H	H2	120.0°	119.9°
O2	C1	N	H3	176.6°	180.0°
O2	C1	C	H1	0.0°	180.0°
O2	C1	C	H	120.0°	59.9°
O2	C1	C	H2	120.0°	60.0°
H3	N	C2	H5	9.4°	120.3°
H3	N	C2	H4	128.5°	119.7°
H1	C	H	H2	120.0°	120.0°
H11	C10	C11	H12	0.1°	0.0°
H12	C11	C12	H13	0.0°	0.0°
H5	C2	C3	H7	63.0°	179.9°
H5	C2	C3	H6	178.4°	60.0°
H4	C2	C3	H7	56.2°	60.1°
H4	C2	C3	H6	62.5°	180.0°
H8	C5	C6	H9	0.4°	0.3°
H9	C6	C7	H10	0.3°	0.2°

Release date:	2018-01-10
Definition date:	2017-07-27
Last modified:	2018-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QAR