RWM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.53Å	1.54Å
O	C	doub	1.21Å	1.20Å
N	C	sing	1.34Å	1.38Å
N	C3	sing	1.46Å	1.46Å
C	C1	sing	1.51Å	1.50Å
C3	C2	sing	1.51Å	1.57Å
C3	C5	sing	1.53Å	1.56Å
C2	C1	sing	1.51Å	1.51Å
C2	O2	doub	1.21Å	1.21Å
C5	C6	sing	1.51Å	1.46Å
C6	O1	sing	1.34Å	1.37Å	Aromatic
C6	C7	doub	1.35Å	1.37Å	Aromatic
O1	N1	sing	1.21Å	1.34Å	Aromatic
C7	C8	sing	1.42Å	1.45Å	Aromatic
N1	C8	doub	1.31Å	1.36Å	Aromatic
C8	C9	sing	1.48Å	1.46Å
C9	C14	doub	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.41Å	Aromatic
C13	C12	doub	1.38Å	1.41Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	N	110.9°	109.8°
C4	C3	C2	110.8°	109.8°
C4	C3	C5	108.5°	109.8°
C3	C4	H1	109.5°	109.5°
C3	C4	H2	109.5°	109.4°
C3	C4	H3	109.5°	109.4°
O	C	N	123.7°	124.9°
O	C	C1	125.9°	124.8°
C	N	C3	114.3°	111.5°
N	C	C1	110.3°	110.2°
C	N	H9	122.8°	124.2°
N	C3	C2	101.9°	107.5°
N	C3	C5	112.3°	109.9°
C3	N	H9	122.9°	124.3°
C	C1	C2	103.8°	106.1°
C	C1	H10	110.9°	110.1°
C	C1	H11	110.9°	110.1°
C2	C3	C5	112.3°	110.0°
C3	C2	C1	109.2°	104.7°
C3	C2	O2	126.5°	127.6°
C3	C5	C6	113.5°	109.5°
C3	C5	H4	108.4°	109.4°
C3	C5	H5	108.5°	109.4°
C1	C2	O2	124.2°	127.6°
C2	C1	H10	110.9°	110.2°
C2	C1	H11	110.9°	110.2°
C5	C6	O1	118.2°	126.7°
C5	C6	C7	132.0°	126.7°
C6	C5	H4	108.5°	109.5°
C6	C5	H5	108.4°	109.5°
O1	C6	C7	109.7°	106.6°
C6	O1	N1	109.1°	111.8°
C6	C7	C8	104.4°	103.9°
C6	C7	H6	127.8°	128.0°
O1	N1	C8	108.9°	111.5°
C7	C8	N1	107.9°	106.1°
C7	C8	C9	127.0°	126.9°
C8	C7	H6	127.8°	128.0°
N1	C8	C9	125.1°	127.0°
C8	C9	C14	118.9°	120.1°
C8	C9	C10	120.7°	120.2°
C14	C9	C10	120.4°	119.8°
C9	C14	C13	120.1°	119.8°
C9	C14	H14	119.9°	120.0°
C9	C10	C11	119.7°	119.9°
C9	C10	H7	120.2°	120.0°
C14	C13	C12	120.0°	120.1°
C14	C13	H8	120.0°	119.9°
C13	C14	H14	120.0°	120.1°
C10	C11	C12	120.2°	120.1°
C11	C10	H7	120.1°	120.1°
C10	C11	H12	119.9°	119.9°
C13	C12	C11	119.5°	120.3°
C12	C13	H8	120.0°	119.9°
C13	C12	H13	120.2°	119.9°
C12	C11	H12	119.9°	120.0°
C11	C12	H13	120.2°	119.9°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.4°	109.5°
H2	C4	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H10	C1	H11	109.5°	110.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	N	C	119.4°	119.5°
C4	C3	N	C2	118.0°	119.5°
C4	C3	N	C5	121.7°	120.9°
C4	C3	C2	C5	121.5°	121.0°
C4	C3	C2	C1	123.1°	119.5°
C4	C3	C2	O2	55.6°	60.6°
C4	C3	C5	C6	176.0°	64.3°
C3	C4	H1	H2	120.0°	120.0°
C3	C4	H1	H3	120.0°	120.0°
C3	C4	H2	H3	120.0°	119.9°
C4	C3	C5	H4	63.4°	55.7°
C4	C3	C5	H5	55.4°	175.7°
C4	C3	N	H9	60.6°	60.2°
O	C	N	C1	176.9°	180.0°
O	C	N	C3	174.3°	180.0°
O	C	C1	C2	171.2°	180.0°
O	C	N	H9	5.8°	0.3°
O	C	C1	H10	69.7°	60.9°
O	C	C1	H11	52.1°	60.7°
C	N	C3	H9	180.0°	179.7°
C	N	C3	C2	1.4°	0.0°
C	N	C3	C5	118.9°	119.6°
N	C	C1	C2	5.6°	0.0°
N	C	C1	H10	113.4°	119.2°
N	C	C1	H11	124.7°	119.2°
C3	N	C	C1	2.7°	0.0°
N	C3	C2	C5	120.4°	119.6°
N	C3	C2	C1	5.0°	0.0°
N	C3	C2	O2	173.6°	179.9°
N	C3	C5	C6	53.0°	56.6°
N	C3	C4	H1	180.0°	60.7°
N	C3	C4	H2	60.0°	179.3°
N	C3	C4	H3	60.0°	59.3°
N	C3	C5	H4	173.6°	176.6°
N	C3	C5	H5	67.6°	63.4°
C	C1	C2	C3	6.4°	0.0°
C	C1	C2	H10	119.1°	119.1°
C	C1	C2	H11	119.1°	119.2°
C	C1	C2	O2	172.2°	179.9°
C1	C	N	H9	177.3°	179.7°
C	C1	H10	H11	122.6°	121.6°
C3	C2	C1	O2	178.7°	179.9°
C2	C3	C5	C6	61.2°	174.7°
C2	C3	C4	H1	67.6°	178.7°
C2	C3	C4	H2	52.5°	61.3°
C2	C3	C4	H3	172.5°	58.7°
C2	C3	C5	H4	59.4°	65.3°
C2	C3	C5	H5	178.2°	54.7°
C2	C3	N	H9	178.6°	179.7°
C3	C2	C1	H10	112.6°	119.1°
C3	C2	C1	H11	125.5°	119.2°
C5	C3	C2	C1	115.4°	119.5°
C5	C3	C2	O2	66.0°	60.4°
C3	C5	C6	H4	120.6°	120.0°
C3	C5	C6	H5	120.6°	120.0°
C3	C5	C6	O1	73.1°	90.1°
C3	C5	C6	C7	105.1°	90.0°
C5	C3	C4	H1	56.1°	60.2°
C5	C3	C4	H2	176.1°	59.8°
C5	C3	C4	H3	63.9°	179.7°
C3	C5	H4	H5	118.2°	120.0°
C5	C3	N	H9	61.0°	60.7°
C2	C1	H10	H11	122.7°	121.8°
O2	C2	C1	H10	68.7°	60.8°
O2	C2	C1	H11	53.1°	60.9°
C5	C6	O1	C7	178.6°	179.9°
C5	C6	O1	N1	178.3°	179.9°
C5	C6	C7	C8	177.7°	179.9°
C6	C5	H4	H5	118.2°	120.1°
C5	C6	C7	H6	2.3°	0.1°
O1	C6	C7	C8	0.6°	0.0°
C6	O1	N1	C8	0.2°	0.0°
O1	C6	C5	H4	166.3°	29.9°
O1	C6	C5	H5	47.5°	149.9°
O1	C6	C7	H6	179.4°	180.0°
C7	C6	O1	N1	0.3°	0.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	N1	0.7°	0.0°
C6	C7	C8	C9	177.2°	180.0°
C7	C6	C5	H4	15.5°	150.0°
C7	C6	C5	H5	134.3°	29.9°
O1	N1	C8	C7	0.5°	0.0°
O1	N1	C8	C9	177.4°	180.0°
C7	C8	N1	C9	177.9°	180.0°
C7	C8	C9	C14	34.6°	180.0°
C7	C8	C9	C10	142.3°	0.1°
N1	C8	C9	C14	142.9°	0.1°
N1	C8	C9	C10	40.1°	180.0°
N1	C8	C7	H6	179.3°	180.0°
C8	C9	C14	C10	177.0°	179.9°
C8	C9	C14	C13	175.8°	179.5°
C8	C9	C10	C11	176.1°	180.0°
C9	C8	C7	H6	2.8°	0.0°
C8	C9	C10	H7	3.9°	0.2°
C8	C9	C14	H14	4.2°	0.4°
C9	C14	C13	H14	180.0°	179.1°
C14	C9	C10	C11	0.8°	0.1°
C9	C14	C13	C12	1.2°	0.9°
C14	C9	C10	H7	179.2°	179.7°
C9	C14	C13	H8	178.8°	179.7°
C10	C9	C14	C13	1.2°	0.6°
C9	C10	C11	H7	180.0°	179.8°
C9	C10	C11	C12	0.4°	0.2°
C9	C10	C11	H12	179.5°	179.8°
C10	C9	C14	H14	178.8°	179.7°
C14	C13	C12	H8	180.0°	179.4°
C14	C13	C12	C11	0.8°	0.6°
C14	C13	C12	H13	179.2°	179.5°
C10	C11	C12	C13	0.4°	0.1°
C10	C11	C12	H12	180.0°	180.0°
C10	C11	C12	H13	179.6°	180.0°
C13	C12	C11	H13	180.0°	179.9°
C13	C12	C11	H12	179.5°	179.9°
C12	C13	C14	H14	178.8°	180.0°
C12	C11	C10	H7	179.6°	180.0°
C11	C12	C13	H8	179.2°	180.0°
H1	C4	H2	H3	119.9°	120.1°
H7	C10	C11	H12	0.5°	0.0°
H8	C13	C12	H13	0.9°	0.1°
H8	C13	C14	H14	1.2°	0.6°
H12	C11	C12	H13	0.5°	0.0°

Release date:	2020-07-08
Definition date:	2020-02-27
Last modified:	2020-07-03
Release status:	REL
Processing site:	RCSB
Derived from:	5R4U