6Q9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	S02	doub	1.42Å	1.43Å
O01	S02	doub	1.42Å	1.43Å
S02	N10	sing	1.66Å	1.64Å
S02	C03	sing	1.76Å	1.79Å
N10	C11	sing	1.40Å	1.44Å
C09	C08	sing	1.51Å	1.52Å
C03	C08	sing	1.40Å	1.41Å	Aromatic
C03	C04	doub	1.35Å	1.38Å	Aromatic
C11	C12	doub	1.36Å	1.39Å	Aromatic
C11	C16	sing	1.40Å	1.41Å	Aromatic
C08	N07	doub	1.31Å	1.36Å	Aromatic
C12	C13	sing	1.41Å	1.42Å	Aromatic
C05	C04	sing	1.51Å	1.53Å
C04	N06	sing	1.35Å	1.34Å	Aromatic
C16	C15	doub	1.36Å	1.39Å	Aromatic
N07	N06	sing	1.40Å	1.36Å	Aromatic
C13	N19	doub	1.32Å	1.37Å	Aromatic
C13	C14	sing	1.47Å	1.39Å	Aromatic
N19	N18	sing	1.40Å	1.34Å	Aromatic
C15	C14	sing	1.41Å	1.41Å	Aromatic
C14	C17	doub	1.38Å	1.45Å	Aromatic
N18	C17	sing	1.34Å	1.34Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.09Å	1.10Å
C05	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
N06	H6	sing	0.97Å	1.00Å
C09	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
N10	H10	sing	0.97Å	1.00Å
C12	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
N18	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	S02	O01	102.7°	123.2°
O20	S02	N10	110.6°	106.4°
O20	S02	C03	111.4°	106.4°
O01	S02	N10	113.0°	106.4°
O01	S02	C03	111.1°	106.4°
N10	S02	C03	108.1°	107.2°
S02	N10	C11	122.8°	120.0°
S02	N10	H10	106.0°	120.0°
S02	C03	C08	127.8°	126.1°
S02	C03	C04	124.8°	126.0°
N10	C11	C12	121.5°	119.2°
N10	C11	C16	117.6°	119.1°
C11	N10	H10	106.0°	120.0°
C09	C08	C03	128.1°	125.9°
C09	C08	N07	124.8°	125.9°
C08	C09	H7	109.5°	109.5°
C08	C09	H8	109.4°	109.5°
C08	C09	H9	109.5°	109.5°
C08	C03	C04	107.3°	107.9°
C03	C08	N07	107.2°	108.2°
C03	C04	C05	126.8°	126.1°
C03	C04	N06	107.2°	107.7°
C12	C11	C16	120.9°	121.7°
C11	C12	C13	119.1°	119.5°
C11	C12	H11	120.5°	120.3°
C11	C16	C15	120.0°	121.6°
C11	C16	H12	120.0°	119.2°
C08	N07	N06	107.5°	108.2°
C12	C13	N19	133.1°	134.6°
C12	C13	C14	119.8°	118.6°
C13	C12	H11	120.5°	120.2°
C05	C04	N06	126.0°	126.1°
C04	C05	H3	109.5°	109.5°
C04	C05	H4	109.5°	109.5°
C04	C05	H5	109.4°	109.5°
C04	N06	N07	110.8°	107.9°
C04	N06	H6	124.6°	126.0°
C16	C15	C14	119.6°	119.6°
C16	C15	H1	120.2°	120.2°
C15	C16	H12	120.0°	119.2°
N07	N06	H6	124.6°	126.0°
N19	C13	C14	107.1°	106.8°
C13	N19	N18	111.2°	108.9°
C13	C14	C15	120.7°	118.9°
C13	C14	C17	105.1°	106.4°
N19	N18	C17	108.3°	109.9°
N19	N18	H13	125.9°	125.0°
C15	C14	C17	134.3°	134.7°
C14	C15	H1	120.2°	120.2°
C14	C17	N18	108.4°	107.9°
C14	C17	H2	125.8°	126.1°
N18	C17	H2	125.8°	126.0°
C17	N18	H13	125.9°	125.0°
H3	C05	H4	109.5°	109.5°
H3	C05	H5	109.5°	109.5°
H4	C05	H5	109.5°	109.5°
H7	C09	H8	109.5°	109.5°
H7	C09	H9	109.5°	109.4°
H8	C09	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	S02	O01	N10	119.1°	123.0°
O20	S02	O01	C03	119.2°	123.0°
O20	S02	N10	C03	122.2°	113.6°
O20	S02	N10	C11	175.7°	48.9°
O20	S02	C03	C08	113.4°	164.2°
O20	S02	C03	C04	66.9°	15.4°
O20	S02	N10	H10	62.5°	131.1°
O01	S02	N10	C03	123.3°	113.5°
O01	S02	N10	C11	61.2°	178.2°
O01	S02	C03	C08	0.3°	31.3°
O01	S02	C03	C04	179.3°	148.4°
O01	S02	N10	H10	177.0°	1.8°
S02	N10	C11	H10	121.8°	180.0°
N10	S02	C03	C08	124.8°	82.2°
N10	S02	C03	C04	54.9°	98.2°
S02	N10	C11	C12	21.8°	132.9°
S02	N10	C11	C16	158.6°	46.8°
C03	S02	N10	C11	62.1°	64.7°
S02	C03	C08	C09	0.1°	0.0°
S02	C03	C08	C04	179.7°	179.7°
S02	C03	C08	N07	180.0°	179.8°
S02	C03	C04	C05	0.2°	0.0°
S02	C03	C04	N06	179.8°	180.0°
C03	S02	N10	H10	59.7°	115.3°
N10	C11	C12	C16	179.6°	179.8°
N10	C11	C12	C13	179.2°	180.0°
N10	C11	C16	C15	179.4°	179.8°
N10	C11	C12	H11	0.8°	0.0°
N10	C11	C16	H12	0.6°	0.1°
C09	C08	C03	N07	179.9°	179.8°
C09	C08	C03	C04	179.8°	179.7°
C09	C08	N07	N06	179.7°	179.7°
C08	C09	H7	H8	120.0°	120.1°
C08	C09	H7	H9	120.0°	120.0°
C08	C09	H8	H9	120.0°	120.0°
C08	C03	C04	C05	180.0°	179.7°
C08	C03	C04	N06	0.1°	0.3°
C03	C08	N07	N06	0.4°	0.5°
C03	C08	C09	H7	179.9°	89.9°
C03	C08	C09	H8	60.1°	150.0°
C03	C08	C09	H9	59.9°	30.0°
C04	C03	C08	N07	0.3°	0.5°
C03	C04	C05	N06	180.0°	180.0°
C03	C04	N06	N07	0.2°	0.0°
C03	C04	C05	H3	90.0°	94.0°
C03	C04	C05	H4	150.0°	146.0°
C03	C04	C05	H5	30.0°	26.0°
C03	C04	N06	H6	179.8°	180.0°
C11	C12	C13	H11	180.0°	180.0°
C12	C11	C16	C15	0.2°	0.1°
C11	C12	C13	N19	179.6°	180.0°
C11	C12	C13	C14	0.1°	0.3°
C12	C11	N10	H10	143.6°	47.1°
C12	C11	C16	H12	179.8°	179.9°
C16	C11	C12	C13	0.4°	0.2°
C11	C16	C15	H12	180.0°	179.9°
C11	C16	C15	C14	0.2°	0.0°
C11	C16	C15	H1	179.8°	179.9°
C16	C11	N10	H10	36.8°	133.1°
C16	C11	C12	H11	179.6°	179.7°
C08	N07	N06	C04	0.4°	0.3°
C08	N07	N06	H6	179.6°	179.7°
N07	C08	C09	H7	0.0°	89.8°
N07	C08	C09	H8	120.0°	30.2°
N07	C08	C09	H9	120.0°	150.2°
C12	C13	N19	C14	179.8°	179.7°
C12	C13	N19	N18	180.0°	179.7°
C12	C13	C14	C15	0.4°	0.2°
C12	C13	C14	C17	180.0°	179.8°
C05	C04	N06	N07	179.8°	180.0°
C04	C05	H3	H4	120.0°	120.0°
C04	C05	H3	H5	120.0°	120.0°
C04	C05	H4	H5	120.0°	120.0°
C05	C04	N06	H6	0.2°	0.0°
C04	N06	N07	H6	180.0°	180.0°
N06	C04	C05	H3	90.0°	86.0°
N06	C04	C05	H4	30.0°	34.0°
N06	C04	C05	H5	150.0°	154.0°
C16	C15	C14	C13	0.5°	0.1°
C16	C15	C14	H1	180.0°	179.9°
C16	C15	C14	C17	180.0°	179.9°
N19	C13	C14	C15	179.8°	180.0°
N19	C13	C14	C17	0.2°	0.0°
C13	N19	N18	C17	0.1°	0.0°
N19	C13	C12	H11	0.4°	0.1°
C13	N19	N18	H13	179.9°	180.0°
C14	C13	N19	N18	0.2°	0.0°
C13	C14	C15	C17	179.4°	180.0°
C13	C14	C17	N18	0.2°	0.1°
C13	C14	C15	H1	179.5°	179.9°
C13	C14	C17	H2	179.8°	179.9°
C14	C13	C12	H11	179.9°	179.7°
N19	N18	C17	C14	0.1°	0.1°
N19	N18	C17	H13	179.9°	179.9°
N19	N18	C17	H2	179.9°	179.9°
C15	C14	C17	N18	179.7°	180.0°
C15	C14	C17	H2	0.3°	0.1°
C14	C15	C16	H12	179.7°	179.9°
C14	C17	N18	H2	180.0°	179.8°
C17	C14	C15	H1	0.0°	0.0°
C14	C17	N18	H13	180.0°	180.0°
H1	C15	C16	H12	0.3°	0.1°
H2	C17	N18	H13	0.0°	0.2°
H3	C05	H4	H5	120.0°	120.0°
H7	C09	H8	H9	120.0°	120.0°

Release date:	2016-10-19
Definition date:	2016-05-23
Last modified:	2016-10-14
Release status:	REL
Processing site:	EBI
Derived from:	5K4X