WJM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.38Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.56Å
C1	N1	sing	1.47Å	1.52Å
N1	C2	sing	1.47Å	1.52Å
C2	C3	sing	1.53Å	1.57Å
C3	N2	sing	1.47Å	1.51Å
C4	N2	sing	1.47Å	1.49Å
C5	C4	sing	1.53Å	1.57Å
N1	C5	sing	1.47Å	1.51Å
N2	C6	sing	1.35Å	1.41Å
C6	O1	doub	1.22Å	1.22Å
C7	C6	sing	1.47Å	1.45Å
C7	C8	doub	1.36Å	1.37Å	Aromatic
C8	C9	sing	1.40Å	1.45Å	Aromatic
C9	C10	doub	1.35Å	1.38Å	Aromatic
C10	O2	sing	1.34Å	1.39Å	Aromatic
O2	C7	sing	1.35Å	1.36Å	Aromatic
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C8	H12	sing	1.08Å	1.08Å
C10	H14	sing	1.08Å	1.08Å
N	H1	sing	0.97Å	1.00Å
N	H	sing	0.97Å	1.00Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
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
C9	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	119.9°	120.0°
N	C	C1	117.4°	120.0°
C	N	H1	120.0°	120.0°
C	N	H	120.0°	120.0°
O	C	C1	122.7°	120.0°
C	C1	N1	109.7°	109.5°
C	C1	H3	109.4°	109.5°
C	C1	H2	109.4°	109.4°
C1	N1	C2	112.5°	110.9°
C1	N1	C5	111.0°	111.0°
N1	C1	H3	109.4°	109.5°
N1	C1	H2	109.4°	109.5°
N1	C2	C3	110.1°	109.3°
C2	N1	C5	110.3°	111.3°
N1	C2	H5	109.3°	109.5°
N1	C2	H4	109.3°	109.5°
C2	C3	N2	112.4°	108.5°
C3	C2	H5	109.3°	109.5°
C3	C2	H4	109.3°	109.5°
C2	C3	H7	108.7°	109.6°
C2	C3	H6	108.8°	109.6°
C3	N2	C4	114.4°	118.2°
C3	N2	C6	118.2°	120.9°
N2	C3	H7	108.8°	109.6°
N2	C3	H6	108.7°	109.7°
N2	C4	C5	113.0°	108.5°
C4	N2	C6	118.4°	120.9°
N2	C4	H9	108.6°	109.7°
N2	C4	H8	108.6°	109.6°
C4	C5	N1	108.9°	109.3°
C5	C4	H9	108.6°	109.6°
C5	C4	H8	108.6°	109.7°
C4	C5	H11	109.6°	109.5°
C4	C5	H10	109.6°	109.5°
N1	C5	H11	109.6°	109.5°
N1	C5	H10	109.6°	109.5°
N2	C6	O1	122.0°	119.9°
N2	C6	C7	118.1°	120.0°
O1	C6	C7	120.0°	120.0°
C6	C7	C8	131.5°	126.0°
C6	C7	O2	117.0°	126.0°
C7	C8	C9	106.1°	106.7°
C8	C7	O2	111.5°	108.1°
C7	C8	H12	126.9°	126.7°
C8	C9	C10	105.4°	107.1°
C9	C8	H12	126.9°	126.6°
C8	C9	H13	127.3°	126.4°
C9	C10	O2	110.6°	108.8°
C9	C10	H14	124.7°	125.6°
C10	C9	H13	127.3°	126.5°
C10	O2	C7	106.3°	109.3°
O2	C10	H14	124.7°	125.6°
H9	C4	H8	109.5°	109.6°
H11	C5	H10	109.5°	109.5°
H1	N	H	120.0°	119.9°
H3	C1	H2	109.5°	109.5°
H5	C2	H4	109.5°	109.5°
H7	C3	H6	109.4°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.7°	180.0°
N	C	C1	N1	175.5°	180.0°
C	N	H1	H	180.0°	179.9°
N	C	C1	H3	64.5°	60.0°
N	C	C1	H2	55.4°	60.0°
O	C	C1	N1	4.8°	0.0°
O	C	N	H1	0.0°	180.0°
O	C	N	H	180.0°	0.1°
O	C	C1	H3	115.2°	120.0°
O	C	C1	H2	124.9°	120.0°
C	C1	N1	H3	120.0°	120.0°
C	C1	N1	H2	120.1°	120.0°
C	C1	N1	C2	154.2°	170.0°
C	C1	N1	C5	81.7°	65.7°
C1	C	N	H1	179.7°	0.0°
C1	C	N	H	0.3°	180.0°
C	C1	H3	H2	119.9°	120.0°
C1	N1	C2	C5	124.6°	124.1°
C1	N1	C2	C3	179.8°	172.7°
C1	N1	C5	C4	169.6°	172.8°
C1	N1	C5	H11	70.4°	52.8°
C1	N1	C5	H10	49.7°	67.3°
N1	C1	H3	H2	119.9°	120.0°
C1	N1	C2	H5	60.1°	67.3°
C1	N1	C2	H4	59.7°	52.8°
N1	C2	C3	H5	120.1°	120.0°
N1	C2	C3	H4	120.1°	119.9°
N1	C2	C3	N2	1.9°	53.9°
C2	N1	C5	C4	64.9°	63.1°
C2	N1	C5	H11	55.0°	176.9°
C2	N1	C5	H10	175.2°	56.8°
C2	N1	C1	H3	85.8°	50.0°
C2	N1	C1	H2	34.1°	70.0°
N1	C2	H5	H4	119.7°	120.1°
N1	C2	C3	H7	118.5°	173.6°
N1	C2	C3	H6	122.4°	65.9°
C2	C3	N2	H7	120.5°	119.7°
C2	C3	N2	H6	120.5°	119.7°
C2	C3	N2	C4	51.7°	51.3°
C3	C2	N1	C5	55.6°	63.2°
C2	C3	N2	C6	161.5°	128.8°
C3	C2	H5	H4	119.7°	120.1°
C2	C3	H7	H6	118.7°	120.5°
C3	N2	C4	C6	146.7°	179.9°
C3	N2	C4	C5	42.4°	51.2°
C3	N2	C6	O1	104.7°	173.0°
C3	N2	C6	C7	75.0°	7.0°
C3	N2	C4	H9	78.1°	68.5°
C3	N2	C4	H8	163.0°	171.1°
N2	C3	C2	H5	122.0°	66.1°
N2	C3	C2	H4	118.2°	173.8°
N2	C3	H7	H6	118.6°	120.5°
N2	C4	C5	H9	120.5°	119.8°
N2	C4	C5	H8	120.5°	119.8°
N2	C4	C5	N1	14.7°	53.8°
C4	N2	C6	O1	109.8°	7.1°
C4	N2	C6	C7	70.5°	172.9°
N2	C4	H9	H8	118.4°	120.4°
N2	C4	C5	H11	105.1°	173.8°
N2	C4	C5	H10	134.7°	66.0°
C4	N2	C3	H7	68.7°	170.9°
C4	N2	C3	H6	172.2°	68.5°
C4	C5	N1	H11	119.9°	120.0°
C4	C5	N1	H10	119.9°	119.9°
C5	C4	N2	C6	170.8°	128.8°
C5	C4	H9	H8	118.4°	120.5°
C4	C5	H11	H10	120.3°	120.1°
N1	C5	C4	H9	135.3°	65.9°
N1	C5	C4	H8	105.8°	173.6°
N1	C5	H11	H10	120.3°	120.0°
C5	N1	C1	H3	38.4°	174.3°
C5	N1	C1	H2	158.3°	54.3°
C5	N1	C2	H5	64.5°	56.8°
C5	N1	C2	H4	175.7°	176.9°
N2	C6	O1	C7	179.7°	180.0°
N2	C6	C7	C8	86.3°	172.5°
N2	C6	C7	O2	95.0°	7.1°
C6	N2	C4	H9	68.6°	111.5°
C6	N2	C4	H8	50.3°	9.0°
C6	N2	C3	H7	78.0°	9.1°
C6	N2	C3	H6	41.0°	111.4°
O1	C6	C7	C8	93.4°	7.4°
O1	C6	C7	O2	85.3°	173.0°
C6	C7	C8	O2	178.8°	179.7°
C6	C7	C8	C9	178.2°	180.0°
C6	C7	O2	C10	178.4°	179.9°
C6	C7	C8	H12	1.8°	0.1°
C7	C8	C9	H12	180.0°	179.9°
C7	C8	C9	C10	0.3°	0.0°
C8	C7	O2	C10	0.5°	0.4°
C7	C8	C9	H13	179.7°	179.9°
C8	C9	C10	H13	180.0°	180.0°
C8	C9	C10	O2	0.0°	0.2°
C9	C8	C7	O2	0.5°	0.3°
C8	C9	C10	H14	180.0°	179.8°
C9	C10	O2	H14	180.0°	179.6°
C9	C10	O2	C7	0.3°	0.4°
C10	C9	C8	H12	179.7°	180.0°
O2	C10	C9	H13	180.0°	179.8°
O2	C7	C8	H12	179.5°	179.8°
C7	O2	C10	H14	179.7°	180.0°
H9	C4	C5	H11	15.4°	54.0°
H9	C4	C5	H10	104.8°	174.2°
H8	C4	C5	H11	134.3°	66.4°
H8	C4	C5	H10	14.1°	53.7°
H12	C8	C9	H13	0.3°	0.0°
H14	C10	C9	H13	0.0°	0.2°
H5	C2	C3	H7	1.6°	53.6°
H5	C2	C3	H6	117.5°	174.1°
H4	C2	C3	H7	121.4°	66.5°
H4	C2	C3	H6	2.3°	54.0°

Release date:	2020-11-11
Definition date:	2020-10-30
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	5S00