UYG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.19Å
C2	C3	sing	1.51Å	1.55Å
C2	C1	sing	1.53Å	1.55Å
C4	C3	doub	1.34Å	1.30Å	Aromatic
C4	N	sing	1.37Å	1.29Å	Aromatic
C	C1	sing	1.50Å	1.53Å
C	N2	sing	1.34Å	1.45Å
C3	C6	sing	1.46Å	1.38Å	Aromatic
N	C5	sing	1.38Å	1.38Å	Aromatic
C1	N1	sing	1.46Å	1.46Å
N2	C11	sing	1.46Å	1.47Å
C14	C12	sing	1.53Å	1.53Å
C6	C5	doub	1.41Å	1.46Å	Aromatic
C6	C7	sing	1.40Å	1.38Å	Aromatic
C5	C10	sing	1.39Å	1.38Å	Aromatic
C13	C12	sing	1.53Å	1.53Å
C7	C8	doub	1.37Å	1.40Å	Aromatic
N1	C15	sing	1.34Å	1.45Å
C12	C11	sing	1.53Å	1.53Å
C11	C15	sing	1.50Å	1.53Å
C10	C9	doub	1.38Å	1.39Å	Aromatic
C15	O1	doub	1.21Å	1.20Å
C8	C9	sing	1.39Å	1.42Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
N	H7	sing	0.97Å	1.00Å
C1	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.08Å	1.08Å
C7	H15	sing	1.08Å	1.08Å
C8	H16	sing	1.08Å	1.08Å
C9	H17	sing	1.08Å	1.08Å
N1	H18	sing	0.97Å	1.00Å
N2	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	119.9°	118.6°
O	C	N2	118.7°	118.7°
C3	C2	C1	109.9°	109.4°
C2	C3	C4	121.6°	126.5°
C2	C3	C6	119.9°	126.5°
C3	C2	H12	109.3°	109.5°
C3	C2	H13	109.4°	109.5°
C2	C1	C	112.7°	109.1°
C2	C1	N1	108.5°	109.1°
C2	C1	H8	107.0°	109.1°
C1	C2	H12	109.3°	109.5°
C1	C2	H13	109.4°	109.5°
C3	C4	N	100.9°	109.9°
C4	C3	C6	118.4°	107.0°
C3	C4	H14	129.5°	125.1°
C4	N	C5	118.0°	109.9°
C4	N	H7	121.0°	125.0°
N	C4	H14	129.5°	125.1°
C1	C	N2	121.4°	122.7°
C	C1	N1	113.1°	111.3°
C	C1	H8	107.2°	109.1°
C	N2	C11	124.0°	122.9°
C	N2	H19	118.0°	118.5°
C3	C6	C5	100.7°	106.0°
C3	C6	C7	139.4°	134.1°
N	C5	C6	101.9°	107.1°
N	C5	C10	138.9°	133.5°
C5	N	H7	121.0°	125.1°
C1	N1	C15	124.6°	122.8°
N1	C1	H8	108.1°	109.2°
C1	N1	H18	117.7°	118.5°
N2	C11	C12	111.1°	109.1°
N2	C11	C15	113.1°	111.3°
N2	C11	H2	109.4°	109.1°
C11	N2	H19	118.0°	118.6°
C14	C12	C13	110.2°	109.5°
C14	C12	C11	109.8°	109.5°
C14	C12	H3	108.4°	109.5°
C12	C14	H9	109.5°	109.5°
C12	C14	H10	109.5°	109.5°
C12	C14	H11	109.5°	109.5°
C5	C6	C7	119.9°	119.9°
C6	C5	C10	119.2°	119.4°
C6	C7	C8	120.5°	119.8°
C6	C7	H15	119.7°	120.1°
C5	C10	C9	120.2°	119.8°
C5	C10	H1	119.9°	120.1°
C13	C12	C11	111.6°	109.5°
C13	C12	H3	108.4°	109.5°
C12	C13	H4	109.5°	109.5°
C12	C13	H5	109.4°	109.5°
C12	C13	H6	109.5°	109.5°
C7	C8	C9	119.1°	120.5°
C8	C7	H15	119.7°	120.1°
C7	C8	H16	120.5°	119.8°
N1	C15	C11	121.5°	122.7°
N1	C15	O1	118.7°	118.7°
C15	N1	H18	117.7°	118.6°
C12	C11	C15	105.9°	109.1°
C12	C11	H2	108.6°	109.1°
C11	C12	H3	108.5°	109.5°
C11	C15	O1	119.9°	118.6°
C15	C11	H2	108.6°	109.1°
C10	C9	C8	121.1°	120.7°
C9	C10	H1	119.9°	120.1°
C10	C9	H17	119.4°	119.7°
C9	C8	H16	120.5°	119.7°
C8	C9	H17	119.5°	119.6°
H4	C13	H5	109.4°	109.5°
H4	C13	H6	109.5°	109.5°
H5	C13	H6	109.5°	109.5°
H9	C14	H10	109.4°	109.4°
H9	C14	H11	109.5°	109.5°
H10	C14	H11	109.4°	109.5°
H12	C2	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C2	45.0°	79.2°
O	C	C1	N2	179.4°	180.0°
O	C	C1	N1	168.6°	160.3°
O	C	N2	C11	179.2°	179.9°
O	C	C1	H8	72.4°	39.8°
O	C	N2	H19	0.8°	0.1°
C3	C2	C1	H12	120.1°	120.0°
C3	C2	C1	H13	120.1°	120.0°
C2	C3	C4	C6	178.2°	180.0°
C2	C3	C4	N	178.5°	180.0°
C3	C2	C1	C	161.1°	174.7°
C3	C2	C1	N1	35.1°	63.5°
C2	C3	C6	C5	177.9°	180.0°
C2	C3	C6	C7	0.6°	0.0°
C3	C2	C1	H8	81.3°	55.6°
C3	C2	H12	H13	119.8°	120.0°
C2	C3	C4	H14	1.5°	0.1°
C1	C2	C3	C4	118.7°	95.0°
C2	C1	C	N1	123.5°	120.4°
C2	C1	C	H8	117.5°	119.1°
C2	C1	C	N2	135.6°	100.7°
C1	C2	C3	C6	59.5°	85.0°
C2	C1	N1	H8	115.7°	119.1°
C2	C1	N1	C15	137.7°	101.0°
C1	C2	H12	H13	119.8°	120.0°
C2	C1	N1	H18	42.3°	79.0°
C3	C4	N	H14	180.0°	179.9°
C3	C4	N	C5	1.0°	0.0°
C4	C3	C6	C5	0.4°	0.0°
C4	C3	C6	C7	178.8°	180.0°
C3	C4	N	H7	179.0°	180.0°
C4	C3	C2	H12	121.3°	145.0°
C4	C3	C2	H13	1.4°	25.0°
N	C4	C3	C6	0.3°	0.0°
C4	N	C5	H7	180.0°	180.0°
C4	N	C5	C6	1.2°	0.0°
C4	N	C5	C10	179.8°	180.0°
C	C1	N1	H8	118.5°	120.4°
C1	C	N2	C11	0.2°	0.1°
C	C1	N1	C15	11.8°	19.4°
C	C1	C2	H12	78.8°	65.3°
C	C1	C2	H13	41.0°	54.7°
C	C1	N1	H18	168.2°	160.5°
C1	C	N2	H19	179.8°	179.9°
N2	C	C1	N1	12.0°	19.7°
C	N2	C11	H19	180.0°	180.0°
C	N2	C11	C12	131.4°	101.0°
C	N2	C11	C15	12.5°	19.5°
C	N2	C11	H2	108.7°	139.9°
N2	C	C1	H8	107.0°	140.2°
C3	C6	C5	N	0.8°	0.0°
C3	C6	C5	C7	178.9°	180.0°
C3	C6	C5	C10	179.9°	180.0°
C3	C6	C7	C8	179.3°	180.0°
C6	C3	C2	H12	60.5°	35.0°
C6	C3	C2	H13	179.6°	155.0°
C6	C3	C4	H14	179.7°	179.9°
C3	C6	C7	H15	0.7°	0.0°
N	C5	C6	C10	179.3°	180.0°
N	C5	C6	C7	179.7°	180.0°
N	C5	C10	C9	179.6°	180.0°
N	C5	C10	H1	0.3°	0.3°
C5	N	C4	H14	179.1°	179.9°
C1	N1	C15	H18	180.0°	180.0°
C1	N1	C15	C11	0.5°	0.0°
C1	N1	C15	O1	179.7°	179.9°
N1	C1	C2	H12	155.1°	56.4°
N1	C1	C2	H13	85.0°	176.5°
N2	C11	C12	C14	66.6°	53.2°
N2	C11	C12	C13	55.9°	173.2°
N2	C11	C15	N1	12.8°	19.7°
N2	C11	C12	C15	123.1°	121.8°
N2	C11	C12	H2	120.4°	119.1°
N2	C11	C15	H2	121.7°	120.4°
N2	C11	C15	O1	167.5°	160.4°
N2	C11	C12	H3	175.2°	66.8°
C14	C12	C13	C11	122.2°	120.0°
C14	C12	C13	H3	118.4°	120.0°
C14	C12	C11	H3	118.2°	120.0°
C14	C12	C11	C15	56.6°	175.0°
C14	C12	C11	H2	173.0°	65.9°
C14	C12	C13	H4	180.0°	60.0°
C14	C12	C13	H5	60.0°	60.0°
C14	C12	C13	H6	60.0°	180.0°
C12	C14	H9	H10	120.0°	120.0°
C12	C14	H9	H11	120.0°	120.0°
C12	C14	H10	H11	120.0°	120.1°
C5	C6	C7	C8	1.0°	0.0°
C6	C5	C10	C9	1.5°	0.0°
C6	C5	C10	H1	178.5°	179.7°
C6	C5	N	H7	178.8°	180.0°
C5	C6	C7	H15	179.0°	180.0°
C7	C6	C5	C10	1.1°	0.0°
C6	C7	C8	H15	180.0°	180.0°
C6	C7	C8	C9	1.3°	0.0°
C6	C7	C8	H16	178.8°	180.0°
C5	C10	C9	H1	180.0°	179.7°
C5	C10	C9	C8	1.8°	0.0°
C10	C5	N	H7	0.2°	0.0°
C5	C10	C9	H17	178.2°	179.7°
C13	C12	C11	H3	119.3°	120.0°
C13	C12	C11	C15	179.0°	65.0°
C13	C12	C11	H2	64.5°	54.1°
C12	C13	H4	H5	120.0°	120.0°
C12	C13	H4	H6	120.0°	120.0°
C12	C13	H5	H6	120.0°	120.0°
C13	C12	C14	H9	180.0°	65.6°
C13	C12	C14	H10	60.0°	174.4°
C13	C12	C14	H11	60.0°	54.4°
C7	C8	C9	C10	1.7°	0.0°
C7	C8	C9	H16	180.0°	180.0°
C7	C8	C9	H17	178.3°	179.8°
N1	C15	C11	C12	134.6°	100.7°
N1	C15	C11	O1	179.7°	179.9°
N1	C15	C11	H2	108.9°	140.2°
C15	N1	C1	H8	106.7°	139.9°
C12	C11	C15	H2	116.5°	119.1°
C12	C11	C15	O1	45.6°	79.2°
C11	C12	C13	H4	57.8°	60.0°
C11	C12	C13	H5	62.2°	180.0°
C11	C12	C13	H6	177.8°	60.0°
C11	C12	C14	H9	56.7°	54.4°
C11	C12	C14	H10	176.7°	65.5°
C11	C12	C14	H11	63.3°	174.4°
C12	C11	N2	H19	48.7°	79.0°
C15	C11	C12	H3	61.7°	55.0°
C11	C15	N1	H18	179.5°	179.9°
C15	C11	N2	H19	167.5°	160.5°
C10	C9	C8	H17	180.0°	179.7°
C10	C9	C8	H16	178.4°	180.0°
O1	C15	C11	H2	70.9°	39.9°
O1	C15	N1	H18	0.3°	0.2°
C8	C9	C10	H1	178.2°	179.7°
C9	C8	C7	H15	178.7°	180.0°
H1	C10	C9	H17	1.8°	0.1°
H2	C11	C12	H3	54.8°	174.1°
H2	C11	N2	H19	71.3°	40.1°
H3	C12	C13	H4	61.6°	180.0°
H3	C12	C13	H5	178.4°	60.0°
H3	C12	C13	H6	58.4°	60.0°
H3	C12	C14	H9	61.6°	174.4°
H3	C12	C14	H10	58.4°	54.5°
H3	C12	C14	H11	178.4°	65.6°
H4	C13	H5	H6	120.0°	120.0°
H7	N	C4	H14	1.0°	0.1°
H8	C1	C2	H12	38.7°	175.6°
H8	C1	C2	H13	158.6°	64.4°
H8	C1	N1	H18	73.3°	40.1°
H9	C14	H10	H11	120.0°	120.0°
H15	C7	C8	H16	1.3°	0.0°
H16	C8	C9	H17	1.6°	0.2°

Release date:	2021-06-09
Definition date:	2020-06-05
Last modified:	2021-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	6XAL