2WG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N23	C21	sing	1.35Å	1.34Å
C1	O2	sing	1.43Å	1.46Å
O2	C3	sing	1.35Å	1.33Å
C21	O22	doub	1.22Å	1.22Å
C21	C4	sing	1.48Å	1.49Å
C3	C4	doub	1.41Å	1.40Å	Aromatic
C3	N8	sing	1.33Å	1.35Å	Aromatic
C4	C5	sing	1.40Å	1.38Å	Aromatic
N8	C7	doub	1.32Å	1.35Å	Aromatic
C19	C20	sing	1.53Å	1.53Å
C19	C18	sing	1.53Å	1.53Å
O17	C16	doub	1.21Å	1.23Å
C5	N6	doub	1.32Å	1.34Å	Aromatic
C20	C18	sing	1.53Å	1.53Å
C7	N6	sing	1.33Å	1.34Å	Aromatic
C7	C9	sing	1.48Å	1.49Å
C16	C18	sing	1.51Å	1.52Å
C16	N15	sing	1.35Å	1.35Å
C14	C9	doub	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.40Å	1.39Å	Aromatic
N15	C13	sing	1.39Å	1.35Å
C13	N12	doub	1.32Å	1.36Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
N12	C11	sing	1.32Å	1.35Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
N15	H8	sing	0.97Å	1.00Å
C18	H9	sing	1.09Å	1.10Å
C19	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
N23	H14	sing	0.97Å	1.00Å
N23	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N23	C21	O22	120.1°	120.0°
N23	C21	C4	120.7°	120.0°
C21	N23	H14	120.0°	120.0°
C21	N23	H15	120.0°	120.1°
C1	O2	C3	120.1°	117.0°
O2	C1	H1	109.5°	109.5°
O2	C1	H2	109.5°	109.4°
O2	C1	H3	109.5°	109.5°
O2	C3	C4	122.1°	120.6°
O2	C3	N8	119.4°	120.5°
O22	C21	C4	119.1°	120.0°
C21	C4	C3	123.7°	120.9°
C21	C4	C5	116.7°	120.8°
C4	C3	N8	118.5°	118.8°
C3	C4	C5	119.6°	118.2°
C3	N8	C7	120.7°	120.8°
C4	C5	N6	119.3°	119.0°
C4	C5	H4	120.4°	120.5°
N8	C7	N6	120.7°	122.0°
N8	C7	C9	120.7°	119.0°
C20	C19	C18	60.0°	60.0°
C19	C20	C18	60.1°	60.0°
C20	C19	H10	120.0°	117.5°
C20	C19	H11	120.0°	117.5°
C19	C20	H12	120.0°	117.5°
C19	C20	H13	120.0°	117.5°
C19	C18	C20	59.9°	60.0°
C19	C18	C16	116.8°	117.5°
C19	C18	H9	116.9°	117.5°
C18	C19	H10	120.0°	117.5°
C18	C19	H11	120.0°	117.5°
O17	C16	C18	118.5°	120.0°
O17	C16	N15	122.8°	120.0°
C5	N6	C7	121.2°	121.1°
N6	C5	H4	120.4°	120.5°
C20	C18	C16	116.6°	117.5°
C20	C18	H9	116.9°	117.5°
C18	C20	H12	120.0°	117.5°
C18	C20	H13	120.0°	117.5°
N6	C7	C9	118.5°	119.0°
C7	C9	C14	119.8°	120.9°
C7	C9	C10	120.3°	120.8°
C18	C16	N15	118.7°	119.9°
C16	C18	H9	117.3°	115.6°
C16	N15	C13	133.3°	120.0°
C16	N15	H8	113.3°	120.0°
C9	C14	C13	120.1°	118.9°
C14	C9	C10	119.8°	118.3°
C9	C14	H7	119.9°	120.5°
C14	C13	N15	121.5°	119.6°
C14	C13	N12	119.3°	120.7°
C13	C14	H7	119.9°	120.5°
C9	C10	C11	118.5°	119.2°
C9	C10	H5	120.8°	120.5°
N15	C13	N12	119.3°	119.6°
C13	N15	H8	113.3°	120.0°
C13	N12	C11	121.6°	122.0°
C10	C11	N12	120.7°	120.9°
C11	C10	H5	120.8°	120.4°
C10	C11	H6	119.7°	119.5°
N12	C11	H6	119.6°	119.6°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H10	C19	H11	109.4°	115.6°
H12	C20	H13	109.5°	115.6°
H14	N23	H15	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N23	C21	O22	C4	176.7°	180.0°
N23	C21	C4	C3	0.1°	180.0°
N23	C21	C4	C5	178.6°	0.1°
C21	N23	H14	H15	180.0°	179.9°
C1	O2	C3	C4	179.5°	179.9°
C1	O2	C3	N8	0.5°	0.3°
O2	C1	H1	H2	120.0°	119.9°
O2	C1	H1	H3	120.0°	120.0°
O2	C1	H2	H3	120.0°	120.0°
O2	C3	C4	C21	2.2°	0.1°
O2	C3	C4	N8	179.0°	179.7°
O2	C3	C4	C5	179.3°	180.0°
O2	C3	N8	C7	178.7°	179.7°
C3	O2	C1	H1	180.0°	180.0°
C3	O2	C1	H2	60.0°	60.0°
C3	O2	C1	H3	60.0°	60.0°
O22	C21	C4	C3	176.6°	0.1°
O22	C21	C4	C5	1.9°	179.9°
O22	C21	N23	H14	0.0°	0.0°
O22	C21	N23	H15	180.0°	179.9°
C21	C4	C3	C5	178.5°	179.9°
C21	C4	C3	N8	178.8°	179.8°
C21	C4	C5	N6	178.8°	180.0°
C21	C4	C5	H4	1.2°	0.1°
C4	C21	N23	H14	176.6°	179.9°
C4	C21	N23	H15	3.4°	0.0°
C4	C3	N8	C7	0.3°	0.6°
C3	C4	C5	N6	0.2°	0.1°
C3	C4	C5	H4	179.7°	179.9°
N8	C3	C4	C5	0.3°	0.4°
C3	N8	C7	N6	1.0°	0.5°
C3	N8	C7	C9	178.2°	179.7°
C4	C5	N6	H4	180.0°	180.0°
C4	C5	N6	C7	0.5°	0.1°
N8	C7	N6	C5	1.1°	0.3°
N8	C7	N6	C9	177.3°	179.7°
N8	C7	C9	C14	9.8°	179.9°
N8	C7	C9	C10	174.3°	0.3°
C20	C19	C18	H10	109.5°	107.5°
C20	C19	C18	H11	109.5°	107.5°
C19	C20	C18	H12	109.5°	107.5°
C19	C20	C18	H13	109.5°	107.5°
C19	C20	C18	C16	107.1°	107.4°
C20	C19	C18	H9	107.0°	107.5°
C20	C19	H10	H11	144.7°	145.7°
C19	C20	H12	H13	144.7°	145.7°
C19	C18	C16	O17	30.2°	0.1°
C19	C18	C16	H9	146.2°	145.7°
C19	C18	C16	N15	149.5°	179.9°
C18	C19	H10	H11	144.7°	145.7°
O17	C16	C18	C20	37.7°	68.7°
O17	C16	C18	N15	179.7°	180.0°
O17	C16	N15	C13	5.8°	5.1°
O17	C16	N15	H8	174.2°	174.9°
O17	C16	C18	H9	176.4°	145.5°
C5	N6	C7	C9	178.4°	180.0°
C20	C18	C16	H9	145.8°	145.7°
C20	C18	C16	N15	142.6°	111.3°
C18	C20	H12	H13	144.7°	145.7°
N6	C7	C9	C14	167.4°	0.3°
N6	C7	C9	C10	8.4°	180.0°
C7	N6	C5	H4	179.5°	180.0°
C7	C9	C14	C10	175.9°	179.7°
C7	C9	C14	C13	178.3°	179.7°
C7	C9	C10	C11	178.5°	180.0°
C7	C9	C10	H5	1.5°	0.0°
C7	C9	C14	H7	1.6°	0.1°
C18	C16	N15	C13	174.5°	175.0°
C18	C16	N15	H8	5.5°	5.1°
C16	C18	C19	H10	143.9°	0.0°
C16	C18	C19	H11	2.9°	145.1°
C16	C18	C20	H12	2.4°	145.0°
C16	C18	C20	H13	143.4°	0.0°
C16	N15	C13	C14	2.2°	174.9°
C16	N15	C13	H8	180.0°	179.9°
C16	N15	C13	N12	177.8°	5.3°
N15	C16	C18	H9	3.3°	34.4°
C9	C14	C13	H7	180.0°	179.7°
C9	C14	C13	N15	179.2°	179.6°
C9	C14	C13	N12	0.8°	0.6°
C14	C9	C10	C11	2.7°	0.3°
C14	C9	C10	H5	177.3°	179.7°
C13	C14	C9	C10	2.5°	0.6°
C14	C13	N15	N12	180.0°	179.7°
C14	C13	N12	C11	0.6°	0.3°
C14	C13	N15	H8	177.8°	5.1°
C9	C10	C11	H5	180.0°	180.0°
C9	C10	C11	N12	1.3°	0.0°
C9	C10	C11	H6	178.7°	180.0°
C10	C9	C14	H7	177.5°	179.7°
N15	C13	N12	C11	179.4°	179.9°
N15	C13	C14	H7	0.8°	0.0°
C13	N12	C11	C10	0.3°	0.0°
C13	N12	C11	H6	179.7°	180.0°
N12	C13	C14	H7	179.2°	179.7°
N12	C13	N15	H8	2.2°	174.6°
C10	C11	N12	H6	180.0°	180.0°
N12	C11	C10	H5	178.7°	180.0°
H1	C1	H2	H3	120.0°	120.1°
H5	C10	C11	H6	1.3°	0.0°
H9	C18	C19	H10	2.4°	145.0°
H9	C18	C19	H11	143.5°	0.0°
H9	C18	C20	H12	143.6°	0.0°
H9	C18	C20	H13	2.5°	145.0°
H10	C19	C20	H12	141.0°	145.0°
H10	C19	C20	H13	0.0°	0.0°
H11	C19	C20	H12	0.0°	0.0°
H11	C19	C20	H13	141.0°	145.1°

Release date:	2015-04-08
Definition date:	2014-03-11
Last modified:	2015-04-03
Release status:	REL
Processing site:	RCSB
Derived from:	4PTG