M0D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.39Å
O1	C3	sing	1.43Å	1.45Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.51Å
C2	C3	sing	1.53Å	1.59Å
C2	N1	sing	1.47Å	1.55Å
C3	C4	sing	1.54Å	1.47Å
C1	N1	sing	1.47Å	1.51Å
N1	C6	sing	1.46Å	1.52Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
N2	C10	sing	1.37Å	1.40Å	Aromatic
N2	C9	sing	1.37Å	1.35Å	Aromatic
C12	C13	sing	1.39Å	1.41Å	Aromatic
C10	C15	doub	1.42Å	1.45Å	Aromatic
C4	C9	sing	1.51Å	1.42Å
C4	C5	sing	1.54Å	1.42Å
C9	C8	doub	1.35Å	1.41Å	Aromatic
C15	C8	sing	1.45Å	1.37Å	Aromatic
C15	C14	sing	1.40Å	1.38Å	Aromatic
C13	C14	doub	1.37Å	1.38Å	Aromatic
C8	C7	sing	1.51Å	1.50Å
C6	C7	sing	1.53Å	1.50Å
C6	C5	sing	1.53Å	1.63Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å
N	H10	sing	0.97Å	1.00Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å
N2	H19	sing	0.97Å	1.00Å
O1	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	119.3°	120.0°
N	C	C1	120.1°	120.0°
C	N	H9	120.0°	120.0°
C	N	H10	120.0°	120.0°
O1	C3	C2	105.1°	109.8°
O1	C3	C4	114.2°	109.8°
O1	C3	H18	113.0°	109.9°
C3	O1	H20	109.5°	114.0°
O	C	C1	120.6°	120.0°
C	C1	N1	107.3°	109.4°
C	C1	H11	110.0°	109.5°
C	C1	H12	110.0°	109.5°
C3	C2	N1	109.9°	109.6°
C2	C3	C4	100.0°	107.7°
C3	C2	H16	109.4°	109.5°
C3	C2	H17	109.4°	109.5°
C2	C3	H18	110.8°	109.8°
C2	N1	C1	113.0°	111.0°
C2	N1	C6	104.6°	113.2°
N1	C2	H16	109.3°	109.4°
N1	C2	H17	109.3°	109.4°
C3	C4	C9	126.2°	107.0°
C3	C4	C5	124.4°	107.4°
C3	C4	H2	100.2°	112.1°
C4	C3	H18	112.7°	109.8°
C1	N1	C6	110.2°	110.9°
N1	C1	H11	110.0°	109.5°
N1	C1	H12	110.0°	109.5°
N1	C6	C7	134.2°	112.0°
N1	C6	C5	111.0°	111.4°
N1	C6	H5	100.6°	107.8°
C12	C11	C10	117.1°	116.9°
C11	C12	C13	121.8°	122.3°
C12	C11	H13	121.4°	121.6°
C11	C12	H14	119.1°	118.9°
C11	C10	N2	131.3°	132.1°
C11	C10	C15	120.7°	120.5°
C10	C11	H13	121.5°	121.5°
C10	N2	C9	106.9°	109.7°
N2	C10	C15	107.9°	107.3°
C10	N2	H19	126.6°	125.1°
N2	C9	C4	130.2°	126.7°
N2	C9	C8	110.8°	110.0°
C9	N2	H19	126.6°	125.2°
C12	C13	C14	121.1°	122.1°
C12	C13	H8	119.4°	119.0°
C13	C12	H14	119.1°	118.8°
C10	C15	C8	106.6°	106.0°
C10	C15	C14	120.8°	121.3°
C9	C4	C5	99.4°	107.5°
C4	C9	C8	118.5°	123.3°
C9	C4	H2	100.6°	111.3°
C4	C5	C6	97.9°	109.0°
C5	C4	H2	100.6°	111.3°
C4	C5	H3	112.3°	109.5°
C4	C5	H4	112.3°	109.5°
C9	C8	C15	107.9°	106.9°
C9	C8	C7	126.3°	124.6°
C8	C15	C14	132.6°	132.6°
C15	C8	C7	125.7°	128.4°
C15	C14	C13	118.3°	116.8°
C15	C14	H15	120.9°	121.6°
C14	C13	H8	119.4°	118.9°
C13	C14	H15	120.8°	121.6°
C8	C7	C6	102.5°	109.8°
C8	C7	H6	111.2°	109.4°
C8	C7	H7	111.2°	109.4°
C7	C6	C5	104.5°	110.5°
C7	C6	H5	100.7°	107.8°
C6	C7	H6	111.2°	109.4°
C6	C7	H7	111.2°	109.4°
C6	C5	H3	112.3°	109.5°
C6	C5	H4	112.3°	109.6°
C5	C6	H5	99.9°	107.0°
H3	C5	H4	109.5°	109.6°
H6	C7	H7	109.5°	109.4°
H9	N	H10	120.0°	120.0°
H11	C1	H12	109.5°	109.4°
H16	C2	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.2°	180.0°
N	C	C1	N1	169.1°	180.0°
C	N	H9	H10	180.0°	180.0°
N	C	C1	H11	71.3°	59.9°
N	C	C1	H12	49.4°	60.0°
O1	C3	C2	C4	118.6°	119.5°
O1	C3	C2	H18	122.3°	121.0°
O1	C3	C2	N1	176.7°	179.0°
O1	C3	C4	H18	130.7°	120.9°
O1	C3	C4	C9	40.9°	67.3°
O1	C3	C4	C5	179.3°	177.5°
O1	C3	C4	H2	70.3°	55.0°
O1	C3	C2	H16	63.3°	60.9°
O1	C3	C2	H17	56.6°	59.0°
O	C	C1	N1	11.8°	0.0°
O	C	N	H9	0.0°	180.0°
O	C	N	H10	180.0°	0.0°
O	C	C1	H11	107.9°	120.1°
O	C	C1	H12	131.4°	120.0°
C	C1	N1	C2	64.9°	63.3°
C	C1	N1	H11	119.7°	120.0°
C	C1	N1	H12	119.7°	120.0°
C	C1	N1	C6	178.4°	170.0°
C1	C	N	H9	179.2°	0.0°
C1	C	N	H10	0.8°	180.0°
C	C1	H11	H12	121.0°	120.0°
C3	C2	N1	H16	120.1°	120.1°
C3	C2	N1	H17	120.1°	120.1°
C2	C3	C4	H18	117.7°	119.5°
C3	C2	N1	C1	175.2°	176.1°
C3	C2	N1	C6	64.9°	58.4°
C2	C3	C4	C9	70.8°	52.2°
C2	C3	C4	C5	67.6°	62.9°
C2	C3	C4	H2	178.0°	174.5°
C3	C2	H16	H17	119.8°	120.0°
C2	C3	O1	H20	180.0°	60.0°
N1	C2	C3	C4	58.0°	61.4°
C2	N1	C1	C6	116.7°	126.8°
C2	N1	C6	C7	72.2°	68.5°
C2	N1	C6	C5	66.3°	55.8°
C2	N1	C6	H5	171.3°	173.0°
C2	N1	C1	H11	175.4°	56.7°
C2	N1	C1	H12	54.7°	176.7°
N1	C2	H16	H17	119.7°	119.8°
N1	C2	C3	H18	61.0°	58.1°
C3	C4	C9	N2	70.9°	87.2°
C3	C4	C9	C5	146.3°	115.1°
C3	C4	C9	H2	111.0°	122.8°
C3	C4	C5	H2	110.2°	123.1°
C3	C4	C9	C8	100.1°	92.7°
C3	C4	C5	C6	67.0°	60.3°
C3	C4	C5	H3	174.9°	179.9°
C3	C4	C5	H4	51.0°	59.6°
C4	C3	C2	H16	178.1°	58.6°
C4	C3	C2	H17	62.0°	178.6°
C4	C3	O1	H20	71.4°	178.3°
C1	N1	C6	C7	49.6°	57.0°
C1	N1	C6	C5	172.0°	178.6°
C1	N1	C6	H5	67.0°	61.4°
N1	C1	H11	H12	121.0°	120.0°
C1	N1	C2	H16	55.1°	63.8°
C1	N1	C2	H17	64.7°	56.1°
N1	C6	C5	C4	60.7°	56.4°
N1	C6	C7	C8	92.9°	81.0°
N1	C6	C7	C5	140.3°	124.9°
N1	C6	C7	H5	116.4°	118.5°
N1	C6	C5	H5	105.5°	117.6°
N1	C6	C5	H3	178.7°	176.2°
N1	C6	C5	H4	57.4°	63.5°
N1	C6	C7	H6	26.0°	159.0°
N1	C6	C7	H7	148.2°	39.1°
C6	N1	C1	H11	58.8°	70.0°
C6	N1	C1	H12	61.9°	50.0°
C6	N1	C2	H16	175.0°	61.7°
C6	N1	C2	H17	55.2°	178.4°
C12	C11	C10	H13	180.0°	180.0°
C12	C11	C10	N2	178.6°	180.0°
C11	C12	C13	H14	180.0°	180.0°
C12	C11	C10	C15	0.9°	0.0°
C11	C12	C13	C14	4.7°	0.1°
C11	C12	C13	H8	175.3°	179.9°
C11	C10	N2	C15	177.9°	180.0°
C11	C10	N2	C9	176.8°	179.7°
C10	C11	C12	C13	2.3°	0.0°
C11	C10	C15	C8	177.4°	180.0°
C11	C10	C15	C14	2.1°	0.0°
C10	C11	C12	H14	177.7°	180.0°
C11	C10	N2	H19	3.2°	0.3°
C10	N2	C9	H19	180.0°	180.0°
C10	N2	C9	C4	170.4°	179.5°
C10	N2	C9	C8	1.0°	0.5°
N2	C10	C15	C8	0.7°	0.0°
N2	C10	C15	C14	179.8°	180.0°
N2	C10	C11	H13	1.4°	0.0°
C9	N2	C10	C15	1.1°	0.3°
N2	C9	C4	C8	170.9°	179.9°
N2	C9	C4	C5	142.9°	157.7°
N2	C9	C8	C15	0.6°	0.4°
N2	C9	C8	C7	176.2°	179.5°
N2	C9	C4	H2	40.2°	35.6°
C12	C13	C14	C15	3.4°	0.1°
C12	C13	C14	H8	180.0°	179.9°
C13	C12	C11	H13	177.6°	180.0°
C12	C13	C14	H15	176.6°	180.0°
C10	C15	C8	C9	0.1°	0.3°
C10	C15	C8	C14	179.4°	180.0°
C10	C15	C14	C13	0.1°	0.1°
C10	C15	C8	C7	176.9°	179.7°
C15	C10	C11	H13	179.1°	180.0°
C10	C15	C14	H15	179.9°	180.0°
C15	C10	N2	H19	178.9°	179.7°
C9	C4	C5	H2	102.7°	122.1°
C4	C9	C8	C15	172.0°	179.5°
C4	C9	C8	C7	11.2°	0.6°
C9	C4	C5	C6	80.1°	54.5°
C9	C4	C5	H3	38.0°	65.3°
C9	C4	C5	H4	161.9°	174.4°
C9	C4	C3	H18	171.5°	171.7°
C4	C9	N2	H19	9.6°	0.6°
C5	C4	C9	C8	46.2°	22.4°
C4	C5	C6	C7	90.0°	68.8°
C4	C5	C6	H3	118.0°	119.8°
C4	C5	C6	H4	118.1°	119.9°
C4	C5	H3	H4	125.4°	120.2°
C4	C5	C6	H5	166.1°	174.0°
C5	C4	C3	H18	50.1°	56.6°
C9	C8	C15	C7	176.8°	180.0°
C9	C8	C15	C14	179.5°	179.7°
C9	C8	C7	C6	14.0°	11.0°
C8	C9	C4	H2	148.9°	144.5°
C9	C8	C7	H6	132.9°	109.0°
C9	C8	C7	H7	104.9°	131.1°
C8	C9	N2	H19	178.9°	179.5°
C8	C15	C14	C13	179.5°	180.0°
C15	C8	C7	C6	169.8°	169.0°
C15	C8	C7	H6	50.9°	70.9°
C15	C8	C7	H7	71.3°	48.9°
C8	C15	C14	H15	0.5°	0.0°
C15	C14	C13	H15	180.0°	180.0°
C14	C15	C8	C7	3.7°	0.3°
C15	C14	C13	H8	176.6°	180.0°
C14	C13	C12	H14	175.4°	180.0°
C8	C7	C6	H6	118.9°	120.1°
C8	C7	C6	H7	118.9°	120.1°
C8	C7	C6	C5	47.3°	43.9°
C8	C7	C6	H5	150.6°	160.6°
C8	C7	H6	H7	123.2°	119.9°
C7	C6	C5	H5	103.9°	117.2°
C7	C6	C5	H3	28.1°	51.0°
C7	C6	C5	H4	152.0°	171.3°
C6	C7	H6	H7	123.3°	119.8°
C6	C5	C4	H2	177.2°	176.6°
C6	C5	H3	H4	125.4°	120.3°
C5	C6	C7	H6	166.2°	76.2°
C5	C6	C7	H7	71.5°	164.0°
H2	C4	C5	H3	64.7°	56.8°
H2	C4	C5	H4	59.2°	63.5°
H2	C4	C3	H18	60.3°	66.0°
H3	C5	C6	H5	75.8°	66.1°
H4	C5	C6	H5	48.0°	54.1°
H5	C6	C7	H6	90.5°	40.5°
H5	C6	C7	H7	31.8°	79.3°
H8	C13	C12	H14	4.7°	0.1°
H8	C13	C14	H15	3.4°	0.1°
H13	C11	C12	H14	2.3°	0.0°
H16	C2	C3	H18	59.0°	178.1°
H17	C2	C3	H18	178.9°	61.9°
H18	C3	O1	H20	59.1°	60.9°

Release date:	2020-04-29
Definition date:	2019-03-15
Last modified:	2020-04-24
Release status:	REL
Processing site:	RCSB
Derived from:	5QQ9