W34

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O1	sing	1.43Å	1.43Å
O1	C9	sing	1.36Å	1.37Å
C9	C11	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.53Å	1.51Å
C3	C4	sing	1.53Å	1.54Å
C11	C5	sing	1.38Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C2	O	sing	1.43Å	1.43Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.51Å	1.52Å
C7	C6	sing	1.38Å	1.39Å	Aromatic
C4	C	sing	1.53Å	1.55Å
O	C1	sing	1.43Å	1.44Å
N	C	sing	1.47Å	1.47Å
C	C1	sing	1.53Å	1.52Å
C4	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
N	H8	sing	1.01Å	1.00Å
N	H9	sing	1.01Å	1.00Å
C	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å
C1	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O1	C9	118.8°	117.0°
O1	C10	H5	109.5°	109.5°
O1	C10	H6	109.5°	109.5°
O1	C10	H7	109.5°	109.5°
O1	C9	C11	115.1°	120.1°
O1	C9	C8	124.2°	120.0°
C11	C9	C8	120.6°	119.9°
C9	C11	C5	120.2°	119.9°
C9	C11	H18	119.9°	120.0°
C9	C8	C7	119.1°	119.9°
C9	C8	H4	120.5°	120.1°
C2	C3	C4	111.2°	109.2°
C3	C2	O	111.5°	109.4°
C2	C3	H12	109.1°	109.5°
C2	C3	H13	109.0°	109.5°
C3	C2	H14	109.0°	109.5°
C3	C2	H15	109.0°	109.4°
C3	C4	C5	112.9°	109.6°
C3	C4	C	110.7°	109.0°
C3	C4	H1	105.8°	109.5°
C4	C3	H12	109.0°	109.5°
C4	C3	H13	109.0°	109.5°
C11	C5	C6	118.8°	120.1°
C11	C5	C4	120.8°	120.0°
C5	C11	H18	119.9°	120.0°
C8	C7	C6	120.4°	120.1°
C8	C7	H3	119.8°	119.9°
C7	C8	H4	120.4°	120.0°
C2	O	C1	110.2°	114.1°
O	C2	H14	109.0°	109.5°
O	C2	H15	108.9°	109.5°
C6	C5	C4	120.2°	119.9°
C5	C6	C7	120.8°	120.1°
C5	C6	H2	119.6°	120.0°
C5	C4	C	115.0°	109.5°
C5	C4	H1	106.0°	109.6°
C7	C6	H2	119.6°	119.9°
C6	C7	H3	119.8°	120.0°
C4	C	N	112.6°	109.5°
C4	C	C1	113.0°	109.2°
C	C4	H1	105.6°	109.6°
C4	C	H11	107.8°	109.5°
O	C1	C	110.6°	109.4°
O	C1	H16	109.2°	109.5°
O	C1	H17	109.2°	109.5°
N	C	C1	106.2°	109.5°
C	N	H8	109.5°	111.0°
C	N	H9	109.5°	111.0°
N	C	H11	108.9°	109.5°
C1	C	H11	108.2°	109.5°
C	C1	H16	109.2°	109.4°
C	C1	H17	109.2°	109.5°
H5	C10	H6	109.5°	109.4°
H5	C10	H7	109.4°	109.5°
H6	C10	H7	109.5°	109.4°
H8	N	H9	109.5°	111.0°
H12	C3	H13	109.5°	109.6°
H14	C2	H15	109.4°	109.5°
H16	C1	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	O1	C9	C11	176.3°	180.0°
C10	O1	C9	C8	0.7°	0.5°
O1	C10	H5	H6	120.0°	120.0°
O1	C10	H5	H7	120.0°	120.1°
O1	C10	H6	H7	120.0°	120.0°
O1	C9	C11	C8	177.1°	179.5°
O1	C9	C11	C5	172.9°	180.0°
O1	C9	C8	C7	175.3°	179.8°
O1	C9	C8	H4	4.7°	0.3°
C9	O1	C10	H5	180.0°	180.0°
C9	O1	C10	H6	60.0°	60.0°
C9	O1	C10	H7	60.0°	60.0°
O1	C9	C11	H18	7.2°	0.5°
C9	C11	C5	H18	180.0°	179.6°
C11	C9	C8	C7	1.6°	0.3°
C9	C11	C5	C6	4.1°	0.5°
C9	C11	C5	C4	170.9°	179.8°
C11	C9	C8	H4	178.4°	179.8°
C8	C9	C11	C5	4.3°	0.5°
C9	C8	C7	H4	180.0°	179.9°
C9	C8	C7	C6	1.2°	0.1°
C9	C8	C7	H3	178.8°	180.0°
C8	C9	C11	H18	175.7°	180.0°
C2	C3	C4	H12	120.3°	119.9°
C2	C3	C4	H13	120.3°	119.9°
C3	C2	O	H14	120.3°	120.0°
C3	C2	O	H15	120.3°	120.0°
C2	C3	C4	C5	176.3°	176.9°
C2	C3	C4	C	45.7°	57.0°
C3	C2	O	C1	65.7°	61.2°
C2	C3	C4	H1	68.2°	62.9°
C2	C3	H12	H13	119.2°	120.2°
C3	C2	H14	H15	119.1°	120.0°
C3	C4	C5	C11	55.0°	45.7°
C4	C3	C2	O	57.0°	57.6°
C3	C4	C5	C6	130.0°	134.0°
C3	C4	C5	C	128.4°	119.6°
C3	C4	C5	H1	115.3°	120.2°
C3	C4	C	H1	114.0°	119.8°
C3	C4	C	N	75.9°	63.0°
C3	C4	C	C1	44.5°	57.0°
C3	C4	C	H11	163.9°	176.9°
C4	C3	H12	H13	119.2°	120.1°
C4	C3	C2	H14	177.3°	177.6°
C4	C3	C2	H15	63.3°	62.4°
C11	C5	C6	C4	175.1°	179.7°
C11	C5	C6	C7	1.4°	0.3°
C11	C5	C4	C	73.4°	73.9°
C11	C5	C4	H1	170.4°	165.9°
C11	C5	C6	H2	178.6°	179.8°
C8	C7	C6	C5	1.3°	0.1°
C8	C7	C6	H3	180.0°	180.0°
C8	C7	C6	H2	178.7°	180.0°
C2	O	C1	C	62.7°	61.2°
O	C2	C3	H12	177.3°	62.3°
O	C2	C3	H13	63.2°	177.5°
O	C2	H14	H15	119.0°	120.1°
C2	O	C1	H16	177.1°	58.8°
C2	O	C1	H17	57.4°	178.8°
C5	C6	C7	H2	180.0°	179.9°
C6	C5	C4	C	101.6°	106.4°
C6	C5	C4	H1	14.7°	13.8°
C5	C6	C7	H3	178.7°	179.9°
C6	C5	C11	H18	175.8°	179.9°
C4	C5	C6	C7	173.7°	180.0°
C5	C4	C	H1	116.5°	120.2°
C5	C4	C	N	53.6°	57.0°
C5	C4	C	C1	173.9°	176.9°
C4	C5	C6	H2	6.3°	0.1°
C5	C4	C	H11	66.6°	63.1°
C5	C4	C3	H12	63.4°	56.9°
C5	C4	C3	H13	56.0°	63.2°
C4	C5	C11	H18	9.1°	0.2°
C6	C7	C8	H4	178.8°	180.0°
C4	C	C1	O	52.8°	57.6°
C4	C	N	C1	124.2°	119.7°
C4	C	N	H11	119.5°	120.1°
C4	C	C1	H11	119.3°	119.9°
C4	C	N	H8	180.0°	172.2°
C4	C	N	H9	60.0°	63.9°
C	C4	C3	H12	166.0°	63.0°
C	C4	C3	H13	74.5°	176.9°
C4	C	C1	H16	172.9°	62.3°
C4	C	C1	H17	67.4°	177.6°
O	C1	C	N	71.2°	62.3°
O	C1	C	H16	120.1°	120.0°
O	C1	C	H17	120.2°	120.0°
O	C1	C	H11	172.0°	177.6°
C1	O	C2	H14	173.9°	178.8°
C1	O	C2	H15	54.6°	58.8°
O	C1	H16	H17	119.5°	120.0°
N	C	C1	H11	116.8°	120.1°
N	C	C4	H1	170.1°	177.2°
C	N	H8	H9	120.0°	123.9°
N	C	C1	H16	49.0°	177.7°
N	C	C1	H17	168.6°	57.7°
C1	C	C4	H1	69.5°	62.9°
C1	C	N	H8	55.8°	52.5°
C1	C	N	H9	175.9°	176.4°
C	C1	H16	H17	119.5°	120.1°
H1	C4	C	H11	49.9°	57.1°
H1	C4	C3	H12	52.1°	177.2°
H1	C4	C3	H13	171.5°	57.0°
H2	C6	C7	H3	1.3°	0.1°
H3	C7	C8	H4	1.2°	0.0°
H5	C10	H6	H7	120.0°	119.9°
H8	N	C	H11	60.5°	67.7°
H9	N	C	H11	59.6°	56.3°
H11	C	C1	H16	67.8°	57.6°
H11	C	C1	H17	51.8°	62.5°
H12	C3	C2	H14	62.4°	57.7°
H12	C3	C2	H15	57.0°	177.7°
H13	C3	C2	H14	57.1°	62.5°
H13	C3	C2	H15	176.5°	57.5°

Release date:	2021-01-13
Definition date:	2020-09-24
Last modified:	2021-01-08
Release status:	REL
Processing site:	RCSB
Derived from:	5RRL