UVE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	S02	doub	1.42Å	1.47Å
O01	S02	doub	1.42Å	1.46Å
C12	N03	sing	1.47Å	1.39Å
C12	C11	sing	1.53Å	1.51Å
N03	S02	sing	1.66Å	1.71Å
N03	C04	sing	1.40Å	1.44Å
S02	C13	sing	1.76Å	1.80Å
C05	C04	doub	1.39Å	1.42Å	Aromatic
C05	C06	sing	1.38Å	1.40Å	Aromatic
C04	C09	sing	1.39Å	1.41Å	Aromatic
C06	C07	doub	1.38Å	1.41Å	Aromatic
C11	O10	sing	1.43Å	1.42Å
C09	O10	sing	1.36Å	1.48Å
C09	C08	doub	1.39Å	1.41Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C20	sing	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.38Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.40Å	1.38Å	Aromatic
C19	C16	sing	1.40Å	1.40Å	Aromatic
C16	C17	sing	1.47Å	1.52Å
C17	O1	doub	1.21Å	1.42Å
C05	H1	sing	1.08Å	1.08Å
C06	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C20	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	S02	O01	106.8°	123.2°
O21	S02	N03	110.6°	106.4°
O21	S02	C13	111.0°	106.4°
O01	S02	N03	113.5°	106.4°
O01	S02	C13	111.4°	106.4°
N03	C12	C11	111.9°	107.7°
C12	N03	S02	115.8°	121.2°
C12	N03	C04	115.4°	117.7°
N03	C12	H7	108.9°	109.9°
N03	C12	H8	108.9°	109.8°
C12	C11	O10	112.8°	108.9°
C12	C11	H5	108.6°	109.5°
C12	C11	H6	108.6°	109.7°
C11	C12	H7	108.8°	109.7°
C11	C12	H8	108.9°	109.9°
S02	N03	C04	123.3°	121.2°
N03	S02	C13	103.6°	107.2°
N03	C04	C05	121.3°	120.1°
N03	C04	C09	119.3°	119.7°
S02	C13	C14	116.9°	119.8°
S02	C13	C20	121.2°	119.8°
C04	C05	C06	119.3°	119.9°
C05	C04	C09	119.4°	120.2°
C04	C05	H1	120.3°	120.0°
C05	C06	C07	121.0°	120.0°
C06	C05	H1	120.4°	120.1°
C05	C06	H2	119.5°	120.0°
C04	C09	O10	121.0°	120.8°
C04	C09	C08	121.3°	119.5°
C06	C07	C08	119.9°	120.3°
C07	C06	H2	119.5°	120.0°
C06	C07	H3	120.1°	119.8°
C11	O10	C09	114.6°	117.7°
O10	C11	H5	108.6°	109.6°
O10	C11	H6	108.6°	109.6°
O10	C09	C08	117.8°	119.6°
C09	C08	C07	119.1°	120.0°
C09	C08	H4	120.5°	120.0°
C14	C13	C20	121.9°	120.4°
C13	C14	C15	119.8°	120.1°
C13	C14	H9	120.1°	119.9°
C13	C20	C19	118.4°	120.2°
C13	C20	H14	120.8°	119.9°
C14	C15	C16	118.9°	119.9°
C15	C14	H9	120.1°	120.0°
C14	C15	H10	120.5°	120.1°
C08	C07	H3	120.0°	119.9°
C07	C08	H4	120.4°	120.0°
C20	C19	C16	119.4°	119.9°
C20	C19	H13	120.3°	120.1°
C19	C20	H14	120.8°	119.9°
C15	C16	C19	121.7°	119.6°
C15	C16	C17	115.8°	120.2°
C16	C15	H10	120.6°	120.1°
C19	C16	C17	122.5°	120.2°
C16	C19	H13	120.3°	120.0°
C16	C17	O1	116.8°	120.0°
C16	C17	H11	121.6°	120.0°
O1	C17	H11	121.6°	120.0°
H5	C11	H6	109.4°	109.6°
H7	C12	H8	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	S02	O01	N03	122.1°	122.9°
O21	S02	O01	C13	121.4°	123.0°
O21	S02	N03	C12	52.2°	18.7°
O21	S02	N03	C13	119.0°	113.5°
O21	S02	N03	C04	155.3°	161.2°
O21	S02	C13	C14	23.3°	23.5°
O21	S02	C13	C20	158.4°	156.2°
O01	S02	N03	C12	172.2°	151.6°
O01	S02	N03	C13	121.0°	113.5°
O01	S02	N03	C04	35.3°	28.3°
O01	S02	C13	C14	142.2°	156.5°
O01	S02	C13	C20	39.5°	23.3°
N03	C12	C11	H7	120.4°	119.5°
N03	C12	C11	H8	120.4°	119.6°
C12	N03	S02	C04	152.5°	179.9°
C12	N03	S02	C13	66.8°	94.8°
C12	N03	C04	C05	157.0°	166.4°
C12	N03	C04	C09	21.2°	13.8°
N03	C12	C11	O10	58.3°	58.1°
N03	C12	C11	H5	178.8°	61.7°
N03	C12	C11	H6	62.3°	178.0°
N03	C12	H7	H8	118.9°	120.9°
C11	C12	N03	S02	105.2°	138.0°
C11	C12	N03	C04	49.6°	41.9°
C12	C11	O10	H5	120.5°	119.7°
C12	C11	O10	H6	120.5°	120.0°
C12	C11	O10	C09	35.6°	49.3°
C12	C11	H5	H6	118.4°	120.4°
C11	C12	H7	H8	118.9°	120.9°
S02	N03	C04	C05	50.3°	13.7°
S02	N03	C04	C09	131.4°	166.1°
N03	S02	C13	C14	95.4°	90.0°
N03	S02	C13	C20	82.9°	90.3°
S02	N03	C12	H7	134.5°	102.5°
S02	N03	C12	H8	15.2°	18.4°
C04	N03	S02	C13	85.7°	85.3°
N03	C04	C05	C09	178.2°	179.8°
N03	C04	C05	C06	179.4°	179.6°
N03	C04	C09	O10	1.1°	0.5°
N03	C04	C09	C08	179.2°	179.6°
N03	C04	C05	H1	0.7°	0.3°
C04	N03	C12	H7	70.8°	77.5°
C04	N03	C12	H8	170.0°	161.5°
S02	C13	C14	C20	178.3°	179.8°
S02	C13	C14	C15	178.5°	179.8°
S02	C13	C20	C19	178.8°	179.7°
S02	C13	C14	H9	1.5°	0.2°
S02	C13	C20	H14	1.2°	0.2°
C04	C05	C06	H1	180.0°	180.0°
C04	C05	C06	C07	0.8°	0.0°
C05	C04	C09	O10	179.3°	179.7°
C05	C04	C09	C08	0.9°	0.3°
C04	C05	C06	H2	179.2°	180.0°
C06	C05	C04	C09	1.2°	0.2°
C05	C06	C07	H2	180.0°	180.0°
C05	C06	C07	C08	0.2°	0.1°
C05	C06	C07	H3	179.8°	180.0°
C04	C09	O10	C11	7.7°	20.2°
C04	C09	O10	C08	179.8°	179.9°
C04	C09	C08	C07	0.3°	0.1°
C09	C04	C05	H1	178.9°	179.8°
C04	C09	C08	H4	179.7°	179.9°
C06	C07	C08	C09	0.1°	0.0°
C06	C07	C08	H3	180.0°	180.0°
C07	C06	C05	H1	179.2°	180.0°
C06	C07	C08	H4	179.9°	179.9°
C11	O10	C09	C08	172.1°	159.8°
O10	C11	H5	H6	118.5°	120.2°
O10	C11	C12	H7	62.1°	61.5°
O10	C11	C12	H8	178.6°	177.6°
O10	C09	C08	C07	179.9°	179.8°
O10	C09	C08	H4	0.0°	0.2°
C09	O10	C11	H5	156.1°	70.4°
C09	O10	C11	H6	84.9°	169.3°
C09	C08	C07	H4	180.0°	180.0°
C09	C08	C07	H3	180.0°	180.0°
C13	C14	C15	H9	180.0°	180.0°
C14	C13	C20	C19	0.6°	0.0°
C13	C14	C15	C16	0.3°	0.0°
C13	C14	C15	H10	179.7°	180.0°
C14	C13	C20	H14	179.4°	180.0°
C20	C13	C14	C15	0.3°	0.0°
C13	C20	C19	H14	180.0°	180.0°
C13	C20	C19	C16	0.4°	0.0°
C20	C13	C14	H9	179.7°	180.0°
C13	C20	C19	H13	179.7°	180.0°
C14	C15	C16	H10	180.0°	180.0°
C14	C15	C16	C19	0.5°	0.0°
C14	C15	C16	C17	180.0°	180.0°
C08	C07	C06	H2	179.8°	179.9°
C20	C19	C16	C15	0.2°	0.0°
C20	C19	C16	H13	180.0°	180.0°
C20	C19	C16	C17	179.6°	180.0°
C15	C16	C19	C17	179.5°	180.0°
C15	C16	C17	O1	172.1°	180.0°
C16	C15	C14	H9	179.8°	180.0°
C15	C16	C17	H11	7.9°	0.1°
C15	C16	C19	H13	179.8°	180.0°
C19	C16	C17	O1	7.4°	0.0°
C19	C16	C15	H10	179.5°	180.0°
C19	C16	C17	H11	172.6°	180.0°
C16	C19	C20	H14	179.6°	180.0°
C16	C17	O1	H11	180.0°	179.9°
C17	C16	C15	H10	0.0°	0.0°
C17	C16	C19	H13	0.3°	0.0°
H1	C05	C06	H2	0.8°	0.0°
H2	C06	C07	H3	0.2°	0.0°
H3	C07	C08	H4	0.1°	0.0°
H5	C11	C12	H7	58.4°	178.7°
H5	C11	C12	H8	60.8°	57.9°
H6	C11	C12	H7	177.4°	58.4°
H6	C11	C12	H8	58.1°	62.5°
H9	C14	C15	H10	0.2°	0.1°
H13	C19	C20	H14	0.4°	0.0°

Release date:	2021-06-09
Definition date:	2021-03-23
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7NXT