2YO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.53Å	1.52Å
C10	C9	sing	1.53Å	1.52Å
C11	C12	sing	1.53Å	1.51Å
C9	C8	sing	1.53Å	1.51Å
C12	N4	sing	1.47Å	1.49Å
C8	N4	sing	1.47Å	1.49Å
N4	C7	sing	1.47Å	1.50Å
C7	C6	sing	1.53Å	1.51Å
C6	N3	sing	1.47Å	1.45Å
N3	C5	sing	1.38Å	1.34Å
C5	N5	sing	1.37Å	1.32Å	Aromatic
C5	N2	doub	1.31Å	1.35Å	Aromatic
N5	C13	sing	1.38Å	1.39Å	Aromatic
N2	C4	sing	1.36Å	1.38Å	Aromatic
C13	C4	doub	1.41Å	1.39Å	Aromatic
C13	C14	sing	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C15	C2	sing	1.41Å	1.41Å	Aromatic
C15	N6	sing	1.38Å	1.39Å
C2	C1	sing	1.47Å	1.46Å
N6	C	sing	1.34Å	1.34Å
C1	O	doub	1.22Å	1.23Å
C1	N1	sing	1.35Å	1.39Å
C	N1	doub	1.30Å	1.34Å
N6	H1	sing	0.97Å	1.00Å
C	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
N5	H5	sing	0.97Å	1.00Å
N3	H7	sing	0.97Å	1.00Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.09Å	1.10Å
C8	H21	sing	1.09Å	1.10Å
C8	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	110.7°	109.1°
C10	C11	C12	111.3°	109.3°
C10	C11	H15	109.0°	109.5°
C10	C11	H16	109.1°	109.6°
C11	C10	H17	109.1°	109.6°
C11	C10	H18	109.2°	109.4°
C10	C9	C8	111.5°	109.3°
C9	C10	H17	109.2°	109.5°
C9	C10	H18	109.2°	109.5°
C10	C9	H19	109.0°	109.5°
C10	C9	H20	109.0°	109.5°
C11	C12	N4	110.8°	109.5°
C11	C12	H13	109.1°	109.4°
C11	C12	H14	109.2°	109.5°
C12	C11	H15	109.0°	109.5°
C12	C11	H16	109.0°	109.5°
C9	C8	N4	110.9°	109.6°
C8	C9	H19	108.9°	109.6°
C8	C9	H20	108.9°	109.5°
C9	C8	H21	109.1°	109.4°
C9	C8	H22	109.1°	109.4°
C12	N4	C8	110.0°	111.2°
C12	N4	C7	111.1°	111.0°
N4	C12	H13	109.2°	109.5°
N4	C12	H14	109.2°	109.5°
C8	N4	C7	111.5°	111.0°
N4	C8	H21	109.1°	109.5°
N4	C8	H22	109.1°	109.5°
N4	C7	C6	112.9°	109.5°
N4	C7	H10	108.6°	109.5°
N4	C7	H11	108.6°	109.5°
C7	C6	N3	112.4°	109.5°
C7	C6	H8	108.8°	109.5°
C7	C6	H9	108.7°	109.5°
C6	C7	H10	108.6°	109.5°
C6	C7	H11	108.6°	109.5°
C6	N3	C5	122.3°	120.0°
C6	N3	H7	106.2°	120.0°
N3	C6	H8	108.7°	109.5°
N3	C6	H9	108.7°	109.4°
N3	C5	N5	125.9°	125.0°
N3	C5	N2	120.4°	125.1°
C5	N3	H7	106.2°	120.0°
N5	C5	N2	113.7°	109.9°
C5	N5	C13	104.3°	107.3°
C5	N5	H5	127.9°	126.3°
C5	N2	C4	106.6°	109.6°
N5	C13	C4	109.8°	106.0°
N5	C13	C14	130.6°	133.4°
C13	N5	H5	127.9°	126.3°
N2	C4	C13	105.6°	107.0°
N2	C4	C3	133.4°	133.0°
C4	C13	C14	119.6°	120.6°
C13	C4	C3	120.9°	119.9°
C13	C14	C15	119.8°	119.6°
C13	C14	H3	120.1°	120.2°
C4	C3	C2	120.3°	119.3°
C4	C3	H4	119.8°	120.3°
C14	C15	C2	119.9°	120.1°
C14	C15	N6	120.4°	121.6°
C15	C14	H3	120.1°	120.2°
C3	C2	C15	119.4°	120.5°
C3	C2	C1	121.5°	121.8°
C2	C3	H4	119.8°	120.3°
C2	C15	N6	119.6°	118.3°
C15	C2	C1	119.0°	117.8°
C15	N6	C	121.6°	120.4°
C15	N6	H1	119.2°	119.8°
C2	C1	O	122.9°	120.9°
C2	C1	N1	115.1°	118.1°
N6	C	N1	119.5°	123.5°
C	N6	H1	119.2°	119.7°
N6	C	H2	120.2°	118.3°
O	C1	N1	122.0°	121.0°
C1	N1	C	125.2°	121.9°
N1	C	H2	120.3°	118.3°
H8	C6	H9	109.5°	109.5°
H10	C7	H11	109.4°	109.5°
H13	C12	H14	109.4°	109.5°
H15	C11	H16	109.5°	109.5°
H17	C10	H18	109.5°	109.6°
H19	C9	H20	109.5°	109.5°
H21	C8	H22	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H17	120.2°	120.0°
C11	C10	C9	H18	120.2°	119.8°
C10	C11	C12	H15	120.3°	119.9°
C10	C11	C12	H16	120.3°	120.0°
C11	C10	C9	C8	53.1°	57.7°
C10	C11	C12	N4	57.2°	59.2°
C10	C11	C12	H13	177.4°	60.8°
C10	C11	C12	H14	63.0°	179.2°
C10	C11	H15	H16	119.2°	120.2°
C11	C10	H17	H18	119.4°	120.1°
C11	C10	C9	H19	173.4°	177.7°
C11	C10	C9	H20	67.2°	62.3°
C9	C10	C11	C12	53.7°	57.7°
C10	C9	C8	H19	120.3°	120.0°
C10	C9	C8	H20	120.3°	119.9°
C10	C9	C8	N4	56.0°	59.2°
C9	C10	C11	H15	66.6°	177.6°
C9	C10	C11	H16	173.9°	62.3°
C9	C10	H17	H18	119.4°	120.2°
C10	C9	H19	H20	119.1°	120.0°
C10	C9	C8	H21	64.2°	179.2°
C10	C9	C8	H22	176.2°	60.9°
C11	C12	N4	H13	120.2°	120.0°
C11	C12	N4	H14	120.2°	120.0°
C11	C12	N4	C8	59.3°	61.7°
C11	C12	N4	C7	176.8°	174.2°
C11	C12	H13	H14	119.4°	120.0°
C12	C11	H15	H16	119.2°	120.1°
C12	C11	C10	H17	66.5°	62.3°
C12	C11	C10	H18	173.9°	177.5°
C9	C8	N4	C12	58.7°	61.7°
C9	C8	N4	H21	120.2°	120.0°
C9	C8	N4	H22	120.2°	120.0°
C9	C8	N4	C7	177.6°	174.2°
C8	C9	C10	H17	67.0°	62.3°
C8	C9	C10	H18	173.3°	177.5°
C8	C9	H19	H20	119.0°	120.1°
C9	C8	H21	H22	119.4°	119.9°
C12	N4	C8	C7	123.7°	124.1°
C12	N4	C7	C6	161.0°	170.0°
C12	N4	C7	H10	40.4°	70.0°
C12	N4	C7	H11	78.5°	50.0°
N4	C12	H13	H14	119.4°	120.0°
N4	C12	C11	H15	63.1°	179.1°
N4	C12	C11	H16	177.5°	60.8°
C12	N4	C8	H21	61.5°	178.2°
C12	N4	C8	H22	178.9°	58.3°
C8	N4	C7	C6	76.0°	65.8°
C8	N4	C7	H10	163.5°	54.2°
C8	N4	C7	H11	44.5°	174.2°
C8	N4	C12	H13	179.5°	58.2°
C8	N4	C12	H14	60.9°	178.2°
N4	C8	C9	H19	176.3°	179.2°
N4	C8	C9	H20	64.3°	60.7°
N4	C8	H21	H22	119.3°	120.0°
N4	C7	C6	H10	120.5°	120.0°
N4	C7	C6	H11	120.5°	120.0°
N4	C7	C6	N3	179.7°	180.0°
N4	C7	C6	H8	59.9°	60.0°
N4	C7	C6	H9	59.2°	60.0°
N4	C7	H10	H11	118.4°	120.0°
C7	N4	C12	H13	56.6°	65.9°
C7	N4	C12	H14	63.0°	54.1°
C7	N4	C8	H21	62.1°	54.2°
C7	N4	C8	H22	57.4°	65.8°
C7	C6	N3	H8	120.4°	120.1°
C7	C6	N3	H9	120.4°	120.0°
C7	C6	N3	C5	169.4°	180.0°
C7	C6	N3	H7	47.6°	0.0°
C7	C6	H8	H9	118.7°	120.0°
C6	C7	H10	H11	118.4°	120.0°
C6	N3	C5	H7	121.8°	180.0°
C6	N3	C5	N5	2.3°	0.0°
C6	N3	C5	N2	177.8°	179.9°
N3	C6	H8	H9	118.7°	119.9°
N3	C6	C7	H10	59.1°	60.0°
N3	C6	C7	H11	59.8°	60.0°
N3	C5	N5	N2	179.8°	180.0°
N3	C5	N5	C13	179.9°	180.0°
N3	C5	N2	C4	179.3°	180.0°
N3	C5	N5	H5	0.1°	0.1°
C5	N3	C6	H8	70.1°	60.0°
C5	N3	C6	H9	49.0°	60.0°
C5	N5	C13	H5	180.0°	179.9°
N5	C5	N2	C4	0.9°	0.1°
C5	N5	C13	C4	0.4°	0.0°
C5	N5	C13	C14	178.2°	179.9°
N5	C5	N3	H7	119.4°	180.0°
N2	C5	N5	C13	0.3°	0.0°
C5	N2	C4	C13	1.0°	0.1°
C5	N2	C4	C3	175.9°	179.9°
N2	C5	N5	H5	179.7°	179.9°
N2	C5	N3	H7	60.4°	0.0°
N5	C13	C4	N2	0.9°	0.1°
N5	C13	C4	C14	178.1°	179.9°
N5	C13	C4	C3	176.5°	179.9°
N5	C13	C14	C15	176.0°	179.9°
N5	C13	C14	H3	3.9°	0.1°
N2	C4	C13	C3	177.4°	180.0°
N2	C4	C13	C14	179.0°	180.0°
N2	C4	C3	C2	176.7°	180.0°
N2	C4	C3	H4	3.3°	0.0°
C4	C13	C14	C15	1.6°	0.0°
C13	C4	C3	C2	0.1°	0.0°
C4	C13	C14	H3	178.4°	180.0°
C13	C4	C3	H4	179.9°	180.0°
C4	C13	N5	H5	179.6°	179.9°
C14	C13	C4	C3	1.6°	0.0°
C13	C14	C15	H3	180.0°	179.9°
C13	C14	C15	C2	0.1°	0.1°
C13	C14	C15	N6	176.6°	180.0°
C14	C13	N5	H5	1.8°	0.1°
C4	C3	C2	H4	180.0°	180.0°
C4	C3	C2	C15	1.4°	0.0°
C4	C3	C2	C1	174.1°	180.0°
C14	C15	C2	C3	1.4°	0.1°
C14	C15	C2	N6	176.8°	179.9°
C14	C15	C2	C1	174.2°	180.0°
C14	C15	N6	C	175.0°	179.7°
C14	C15	N6	H1	5.0°	0.1°
C3	C2	C15	C1	175.6°	179.9°
C3	C2	C15	N6	178.2°	180.0°
C3	C2	C1	O	0.8°	0.0°
C3	C2	C1	N1	177.4°	179.7°
C2	C15	N6	C	1.8°	0.3°
C15	C2	C1	O	176.3°	179.9°
C15	C2	C1	N1	1.9°	0.2°
C2	C15	N6	H1	178.2°	180.0°
C2	C15	C14	H3	179.9°	180.0°
C15	C2	C3	H4	178.6°	180.0°
N6	C15	C2	C1	2.6°	0.1°
C15	N6	C	H1	180.0°	179.7°
C15	N6	C	N1	0.2°	0.3°
C15	N6	C	H2	179.8°	180.0°
N6	C15	C14	H3	3.3°	0.1°
C2	C1	O	N1	178.0°	179.7°
C2	C1	N1	C	0.4°	0.3°
C1	C2	C3	H4	5.9°	0.1°
N6	C	N1	C1	0.5°	0.0°
N6	C	N1	H2	180.0°	179.7°
O	C1	N1	C	177.8°	180.0°
C1	N1	C	H2	179.5°	179.7°
N1	C	N6	H1	179.8°	180.0°
H1	N6	C	H2	0.2°	0.3°
H7	N3	C6	H8	168.1°	120.0°
H7	N3	C6	H9	72.8°	120.0°
H8	C6	C7	H10	179.6°	180.0°
H8	C6	C7	H11	60.6°	60.0°
H9	C6	C7	H10	61.3°	60.0°
H9	C6	C7	H11	179.8°	180.0°
H13	C12	C11	H15	57.1°	59.1°
H13	C12	C11	H16	62.3°	179.2°
H14	C12	C11	H15	176.7°	60.9°
H14	C12	C11	H16	57.3°	59.2°
H15	C11	C10	H17	173.2°	57.7°
H15	C11	C10	H18	53.6°	62.5°
H16	C11	C10	H17	53.8°	177.8°
H16	C11	C10	H18	65.9°	57.6°
H17	C10	C9	H19	53.3°	57.7°
H17	C10	C9	H20	172.7°	177.8°
H18	C10	C9	H19	66.4°	62.5°
H18	C10	C9	H20	53.0°	57.5°
H19	C9	C8	H21	56.1°	60.8°
H19	C9	C8	H22	63.5°	59.1°
H20	C9	C8	H21	175.5°	59.3°
H20	C9	C8	H22	55.9°	179.2°

Release date:	2014-07-08
Definition date:	2014-04-24
Last modified:	2014-07-03
Release status:	REL
Processing site:	RCSB
Derived from:	4Q4P