UGD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C4	doub	1.32Å	1.33Å	Aromatic
N1	C5	sing	1.32Å	1.34Å	Aromatic
C4	N	sing	1.32Å	1.33Å	Aromatic
C5	C2	doub	1.39Å	1.39Å	Aromatic
N	C3	doub	1.32Å	1.34Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C1	C	sing	1.51Å	1.51Å
O	C	doub	1.21Å	1.23Å
C	N2	sing	1.35Å	1.35Å
N2	C6	sing	1.40Å	1.41Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C14	sing	1.39Å	1.39Å	Aromatic
N3	C11	sing	1.46Å	1.49Å
N3	C13	sing	1.35Å	1.34Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C14	C10	doub	1.39Å	1.39Å	Aromatic
O2	C13	doub	1.21Å	1.23Å
C11	O1	sing	1.43Å	1.45Å
C11	C12	sing	1.53Å	1.54Å
C13	C12	sing	1.51Å	1.52Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.38Å	Aromatic
C10	O1	sing	1.36Å	1.38Å
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
N2	H11	sing	0.97Å	1.00Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N1	C5	115.4°	120.8°
N1	C4	N	127.0°	121.8°
N1	C4	H2	116.5°	119.1°
N1	C5	C2	123.6°	119.2°
N1	C5	H3	118.2°	120.4°
C4	N	C3	115.4°	120.8°
N	C4	H2	116.5°	119.2°
C5	C2	C3	114.9°	118.4°
C5	C2	C1	121.1°	120.8°
C2	C5	H3	118.2°	120.4°
N	C3	C2	123.6°	119.1°
N	C3	H14	118.2°	120.5°
C3	C2	C1	121.1°	120.8°
C2	C3	H14	118.2°	120.5°
C2	C1	C	113.1°	109.5°
C2	C1	H12	108.5°	109.5°
C2	C1	H13	108.5°	109.5°
C1	C	O	121.8°	120.0°
C1	C	N2	114.2°	120.0°
C	C1	H12	108.6°	109.5°
C	C1	H13	108.5°	109.5°
O	C	N2	124.0°	120.0°
C	N2	C6	128.6°	120.0°
C	N2	H11	115.7°	119.9°
N2	C6	C7	117.4°	120.0°
N2	C6	C14	122.7°	120.0°
C6	N2	H11	115.7°	120.0°
C7	C6	C14	119.9°	119.9°
C6	C7	C8	119.9°	120.0°
C6	C7	H4	120.1°	120.0°
C6	C14	C10	119.4°	119.8°
C6	C14	H10	120.3°	120.1°
C11	N3	C13	93.1°	90.7°
N3	C11	O1	111.0°	113.0°
N3	C11	C12	86.5°	90.5°
C11	N3	H1	133.4°	134.6°
N3	C11	H8	115.7°	113.0°
N3	C13	O2	131.9°	131.8°
N3	C13	C12	92.5°	96.3°
C13	N3	H1	133.4°	134.7°
C7	C8	C9	120.6°	120.1°
C8	C7	H4	120.1°	120.0°
C7	C8	H5	119.7°	119.9°
C14	C10	C9	120.9°	120.0°
C14	C10	O1	120.0°	120.0°
C10	C14	H10	120.3°	120.1°
O2	C13	C12	135.6°	131.9°
O1	C11	C12	108.6°	113.0°
C11	O1	C10	113.0°	116.9°
O1	C11	H8	116.4°	112.5°
C11	C12	C13	84.8°	82.5°
C11	C12	H6	115.2°	114.4°
C11	C12	H7	115.3°	114.4°
C12	C11	H8	114.9°	113.0°
C13	C12	H6	115.3°	114.4°
C13	C12	H7	115.2°	114.4°
C8	C9	C10	119.3°	120.1°
C9	C8	H5	119.7°	119.9°
C8	C9	H9	120.4°	120.0°
C9	C10	O1	119.1°	120.1°
C10	C9	H9	120.4°	119.9°
H6	C12	H7	109.4°	113.4°
H12	C1	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C4	N	H2	180.0°	180.0°
C4	N1	C5	C2	0.3°	0.0°
N1	C4	N	C3	0.7°	0.1°
C4	N1	C5	H3	179.8°	180.0°
C5	N1	C4	N	0.9°	0.0°
N1	C5	C2	H3	180.0°	180.0°
N1	C5	C2	C3	1.3°	0.1°
N1	C5	C2	C1	162.4°	180.0°
C5	N1	C4	H2	179.1°	180.0°
C4	N	C3	C2	0.5°	0.1°
C4	N	C3	H14	179.5°	180.0°
C5	C2	C3	N	1.5°	0.1°
C5	C2	C3	C1	161.0°	180.0°
C5	C2	C1	C	67.4°	90.0°
C5	C2	C1	H12	172.0°	30.0°
C5	C2	C1	H13	53.1°	150.0°
C5	C2	C3	H14	178.5°	180.0°
N	C3	C2	H14	180.0°	179.9°
N	C3	C2	C1	162.5°	179.9°
C3	N	C4	H2	179.2°	180.0°
C3	C2	C1	C	92.4°	90.0°
C3	C2	C5	H3	178.7°	179.9°
C3	C2	C1	H12	28.1°	150.0°
C3	C2	C1	H13	147.0°	30.0°
C2	C1	C	H12	120.6°	120.0°
C2	C1	C	H13	120.5°	120.0°
C2	C1	C	O	34.9°	0.0°
C2	C1	C	N2	144.9°	179.9°
C1	C2	C5	H3	17.6°	0.0°
C2	C1	H12	H13	118.3°	120.0°
C1	C2	C3	H14	17.5°	0.0°
C1	C	O	N2	179.7°	179.9°
C1	C	N2	C6	162.0°	175.4°
C1	C	N2	H11	18.0°	4.6°
C	C1	H12	H13	118.3°	120.0°
O	C	N2	C6	18.3°	4.7°
O	C	N2	H11	161.7°	175.4°
O	C	C1	H12	85.7°	120.0°
O	C	C1	H13	155.4°	120.0°
C	N2	C6	H11	180.0°	180.0°
C	N2	C6	C7	177.5°	144.9°
C	N2	C6	C14	3.6°	35.4°
N2	C	C1	H12	94.6°	59.9°
N2	C	C1	H13	24.3°	60.0°
N2	C6	C7	C14	179.0°	179.8°
N2	C6	C7	C8	179.4°	179.7°
N2	C6	C14	C10	179.4°	179.8°
N2	C6	C7	H4	0.6°	0.2°
N2	C6	C14	H10	0.6°	0.2°
C6	C7	C8	H4	180.0°	180.0°
C7	C6	C14	C10	0.5°	0.0°
C6	C7	C8	C9	1.5°	0.0°
C6	C7	C8	H5	178.6°	180.0°
C7	C6	C14	H10	179.5°	180.0°
C7	C6	N2	H11	2.5°	35.1°
C14	C6	C7	C8	1.6°	0.0°
C6	C14	C10	H10	180.0°	180.0°
C6	C14	C10	C9	0.8°	0.1°
C6	C14	C10	O1	178.2°	180.0°
C14	C6	C7	H4	178.4°	180.0°
C14	C6	N2	H11	176.4°	144.7°
C11	N3	C13	H1	180.0°	179.8°
C11	N3	C13	O2	162.4°	180.0°
N3	C11	O1	C12	93.4°	101.1°
N3	C11	O1	H8	135.1°	129.5°
N3	C11	C12	H8	116.8°	115.4°
C11	N3	C13	C12	14.0°	0.0°
N3	C11	O1	C10	120.5°	94.6°
N3	C11	C12	H6	103.3°	113.4°
N3	C11	C12	H7	127.7°	113.4°
N3	C13	O2	C12	174.9°	180.0°
C13	N3	C11	O1	122.4°	115.4°
N3	C13	C12	H6	101.9°	113.4°
N3	C13	C12	H7	129.1°	113.4°
C13	N3	C11	H8	102.1°	115.4°
C7	C8	C9	H5	180.0°	180.0°
C7	C8	C9	C10	0.1°	0.0°
C7	C8	C9	H9	179.8°	179.9°
C14	C10	O1	C11	109.6°	180.0°
C14	C10	C9	C8	1.0°	0.0°
C14	C10	C9	O1	179.0°	180.0°
C14	C10	C9	H9	179.0°	180.0°
O2	C13	C12	C11	162.6°	180.0°
O2	C13	N3	H1	17.6°	0.2°
O2	C13	C12	H6	81.9°	66.6°
O2	C13	C12	H7	47.1°	66.6°
O1	C11	C12	H8	132.3°	129.2°
O1	C11	C12	C13	123.2°	115.4°
C11	O1	C10	C9	71.4°	0.1°
O1	C11	N3	H1	57.6°	64.3°
O1	C11	C12	H6	7.7°	131.2°
O1	C11	C12	H7	121.3°	2.0°
C11	C12	C13	H6	115.5°	113.4°
C11	C12	C13	H7	115.5°	113.4°
C12	C11	O1	C10	146.1°	164.4°
C12	C11	N3	H1	166.2°	179.8°
C11	C12	H6	H7	131.8°	133.7°
C12	C13	N3	H1	166.0°	179.8°
C13	C12	H6	H7	131.8°	133.6°
C13	C12	C11	H8	104.5°	115.4°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	O1	178.0°	180.0°
C9	C8	C7	H4	178.5°	180.0°
C10	C9	C8	H5	179.9°	180.0°
C9	C10	C14	H10	179.2°	180.0°
C10	O1	C11	H8	14.7°	34.9°
O1	C10	C9	H9	2.0°	0.1°
O1	C10	C14	H10	1.8°	0.0°
H1	N3	C11	H8	77.9°	64.9°
H4	C7	C8	H5	1.4°	0.0°
H5	C8	C9	H9	0.1°	0.1°
H6	C12	C11	H8	140.0°	2.0°
H7	C12	C11	H8	11.0°	131.2°

Release date:	2020-05-27
Definition date:	2020-05-18
Last modified:	2020-05-22
Release status:	REL
Processing site:	RCSB
Derived from:	5RGU