OB1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O04	S01	doub	1.42Å	1.46Å
S01	N01	sing	1.66Å	1.71Å
S01	O05	doub	1.42Å	1.46Å
S01	C17	sing	1.81Å	1.76Å
N01	C19	sing	1.40Å	1.28Å
C20	C19	doub	1.39Å	1.35Å	Aromatic
C20	C21	sing	1.38Å	1.34Å	Aromatic
C19	C24	sing	1.39Å	1.35Å	Aromatic
C18	C17	sing	1.55Å	1.55Å
C18	C09	sing	1.56Å	1.53Å
C21	C22	doub	1.38Å	1.34Å	Aromatic
C17	C11	sing	1.56Å	1.54Å
C24	C23	doub	1.38Å	1.34Å	Aromatic
C22	C23	sing	1.38Å	1.34Å	Aromatic
C09	O03	sing	1.47Å	1.41Å
C09	C08	sing	1.53Å	1.53Å
C11	O03	sing	1.46Å	1.40Å
C11	C07	sing	1.53Å	1.52Å
C16	C15	doub	1.38Å	1.34Å	Aromatic
C16	C10	sing	1.40Å	1.35Å	Aromatic
C08	C07	doub	1.36Å	1.36Å
C08	C10	sing	1.47Å	1.35Å
C15	C14	sing	1.39Å	1.34Å	Aromatic
C07	C05	sing	1.47Å	1.35Å
C10	C12	doub	1.40Å	1.35Å	Aromatic
C05	C06	doub	1.40Å	1.35Å	Aromatic
C05	C04	sing	1.40Å	1.35Å	Aromatic
C06	C01	sing	1.38Å	1.34Å	Aromatic
C14	O02	sing	1.36Å	1.36Å
C14	C13	doub	1.39Å	1.34Å	Aromatic
C04	C03	doub	1.38Å	1.34Å	Aromatic
C01	C02	doub	1.39Å	1.34Å	Aromatic
C12	C13	sing	1.38Å	1.34Å	Aromatic
C03	C02	sing	1.39Å	1.34Å	Aromatic
C02	O01	sing	1.36Å	1.36Å
C01	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
O01	H5	sing	0.97Å	0.95Å
C09	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
O02	H12	sing	0.97Å	0.95Å
C17	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
N01	H16	sing	0.97Å	1.00Å
C20	H17	sing	1.08Å	1.08Å
C21	H18	sing	1.08Å	1.08Å
C22	H19	sing	1.08Å	1.08Å
C23	H20	sing	1.08Å	1.08Å
C24	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O04	S01	N01	92.1°	104.3°
O04	S01	O05	122.5°	121.0°
O04	S01	C17	115.6°	110.6°
N01	S01	O05	91.2°	104.3°
N01	S01	C17	118.1°	104.5°
S01	N01	C19	125.0°	120.0°
S01	N01	H16	105.5°	120.0°
O05	S01	C17	112.9°	110.6°
S01	C17	C18	115.8°	111.0°
S01	C17	C11	113.4°	110.9°
S01	C17	H13	107.5°	110.9°
N01	C19	C20	119.7°	120.1°
N01	C19	C24	122.0°	120.0°
C19	N01	H16	105.5°	120.1°
C19	C20	C21	121.0°	119.9°
C20	C19	C24	118.3°	119.9°
C19	C20	H17	119.5°	120.0°
C20	C21	C22	120.0°	120.1°
C21	C20	H17	119.5°	120.1°
C20	C21	H18	120.0°	120.0°
C19	C24	C23	121.0°	119.9°
C19	C24	H21	119.5°	120.1°
C17	C18	C09	100.1°	101.9°
C18	C17	C11	100.0°	101.9°
C18	C17	H13	110.0°	110.9°
C17	C18	H14	111.8°	110.9°
C17	C18	H15	111.8°	110.9°
C18	C09	O03	101.2°	101.1°
C18	C09	C08	108.7°	105.0°
C18	C09	H6	113.5°	116.2°
C09	C18	H14	111.8°	111.0°
C09	C18	H15	111.8°	110.9°
C21	C22	C23	119.6°	120.1°
C22	C21	H18	120.0°	119.9°
C21	C22	H19	120.2°	120.0°
C17	C11	O03	103.3°	101.1°
C17	C11	C07	104.4°	104.9°
C17	C11	H7	113.9°	116.2°
C11	C17	H13	110.0°	110.9°
C24	C23	C22	120.2°	120.1°
C24	C23	H20	119.9°	119.9°
C23	C24	H21	119.5°	120.1°
C23	C22	H19	120.2°	119.9°
C22	C23	H20	119.9°	120.0°
O03	C09	C08	102.8°	100.7°
C09	O03	C11	96.0°	97.1°
O03	C09	H6	115.8°	115.9°
C09	C08	C07	104.2°	106.0°
C09	C08	C10	121.1°	127.0°
C08	C09	H6	113.6°	115.8°
O03	C11	C07	103.2°	100.8°
O03	C11	H7	116.4°	115.9°
C11	C07	C08	103.6°	105.9°
C11	C07	C05	121.2°	127.0°
C07	C11	H7	114.2°	115.7°
C15	C16	C10	122.2°	119.9°
C16	C15	C14	121.4°	120.1°
C16	C15	H10	119.3°	119.9°
C15	C16	H11	118.9°	120.1°
C16	C10	C08	120.1°	120.1°
C16	C10	C12	115.9°	119.8°
C10	C16	H11	118.9°	120.1°
C07	C08	C10	134.7°	127.0°
C08	C07	C05	135.1°	127.0°
C08	C10	C12	124.0°	120.2°
C15	C14	O02	121.1°	119.9°
C15	C14	C13	117.0°	120.3°
C14	C15	H10	119.3°	120.0°
C07	C05	C06	123.8°	120.1°
C07	C05	C04	120.7°	120.1°
C10	C12	C13	122.0°	119.9°
C10	C12	H8	119.0°	120.0°
C06	C05	C04	115.5°	119.8°
C05	C06	C01	122.4°	119.9°
C05	C06	H4	118.8°	120.1°
C05	C04	C03	122.4°	119.9°
C05	C04	H3	118.8°	120.1°
C06	C01	C02	121.5°	120.1°
C06	C01	H1	119.3°	119.9°
C01	C06	H4	118.8°	120.1°
O02	C14	C13	121.9°	119.9°
C14	O02	H12	109.5°	114.0°
C14	C13	C12	121.5°	120.1°
C14	C13	H9	119.2°	120.0°
C04	C03	C02	121.5°	120.1°
C04	C03	H2	119.2°	120.0°
C03	C04	H3	118.8°	120.0°
C01	C02	C03	116.9°	120.2°
C01	C02	O01	122.0°	119.9°
C02	C01	H1	119.3°	119.9°
C13	C12	H8	119.0°	120.1°
C12	C13	H9	119.3°	119.9°
C03	C02	O01	121.1°	119.9°
C02	C03	H2	119.3°	119.9°
C02	O01	H5	109.5°	113.9°
H14	C18	H15	109.4°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O04	S01	N01	O05	122.6°	127.8°
O04	S01	N01	C17	120.6°	116.1°
O04	S01	O05	C17	145.5°	131.5°
O04	S01	N01	C19	149.1°	179.7°
O04	S01	C17	C18	62.9°	46.7°
O04	S01	C17	C11	177.7°	65.8°
O04	S01	C17	H13	60.5°	170.5°
O04	S01	N01	H16	88.8°	0.4°
N01	S01	O05	C17	121.3°	111.8°
S01	N01	C19	H16	122.1°	180.0°
S01	N01	C19	C20	88.6°	75.0°
S01	N01	C19	C24	93.2°	104.8°
N01	S01	C17	C18	170.4°	64.9°
N01	S01	C17	C11	74.8°	177.5°
N01	S01	C17	H13	47.0°	58.8°
O05	S01	N01	C19	26.5°	51.9°
O05	S01	C17	C18	85.1°	176.5°
O05	S01	C17	C11	29.7°	70.9°
O05	S01	C17	H13	151.5°	52.8°
O05	S01	N01	H16	148.6°	128.2°
C17	S01	N01	C19	90.3°	64.2°
S01	C17	C18	C11	122.2°	118.2°
S01	C17	C18	H13	122.1°	123.7°
S01	C17	C18	C09	128.3°	118.1°
S01	C17	C11	H13	120.4°	123.7°
S01	C17	C11	O03	93.6°	83.4°
S01	C17	C11	C07	158.8°	172.1°
S01	C17	C11	H7	33.6°	43.0°
S01	C17	C18	H14	9.8°	123.7°
S01	C17	C18	H15	113.2°	0.1°
C17	S01	N01	H16	31.8°	115.7°
N01	C19	C20	C24	178.3°	179.8°
N01	C19	C20	C21	179.4°	180.0°
N01	C19	C24	C23	179.2°	179.7°
N01	C19	C20	H17	0.7°	0.0°
N01	C19	C24	H21	0.8°	0.0°
C19	C20	C21	H17	180.0°	180.0°
C19	C20	C21	C22	0.7°	0.0°
C20	C19	C24	C23	0.9°	0.6°
C20	C19	N01	H16	149.4°	105.0°
C19	C20	C21	H18	179.3°	180.0°
C20	C19	C24	H21	179.1°	179.8°
C21	C20	C19	C24	1.1°	0.2°
C20	C21	C22	H18	180.0°	180.0°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	H19	179.9°	180.0°
C19	C24	C23	H21	180.0°	179.7°
C19	C24	C23	C22	0.4°	0.6°
C24	C19	N01	H16	28.9°	75.2°
C24	C19	C20	H17	178.9°	179.8°
C19	C24	C23	H20	179.6°	179.7°
C17	C18	C09	H14	118.5°	118.2°
C17	C18	C09	H15	118.5°	118.1°
C18	C17	C11	H13	115.7°	118.1°
C17	C18	C09	O03	41.0°	34.6°
C17	C18	C09	C08	66.7°	69.7°
C18	C17	C11	O03	30.3°	34.8°
C18	C17	C11	C07	77.3°	69.7°
C17	C18	C09	H6	165.7°	161.0°
C18	C17	C11	H7	157.5°	161.2°
C17	C18	H14	H15	124.4°	123.7°
C09	C18	C17	C11	6.1°	0.0°
C18	C09	O03	C08	112.3°	107.7°
C18	C09	O03	H6	123.2°	126.5°
C18	C09	C08	H6	127.5°	129.6°
C18	C09	O03	C11	61.1°	57.3°
C18	C09	C08	C07	74.2°	72.5°
C18	C09	C08	C10	105.9°	107.6°
C09	C18	C17	H13	109.6°	118.2°
C09	C18	H14	H15	124.4°	123.7°
C21	C22	C23	C24	0.1°	0.3°
C21	C22	C23	H19	180.0°	180.0°
C22	C21	C20	H17	179.3°	180.0°
C21	C22	C23	H20	179.9°	180.0°
C17	C11	O03	C09	57.1°	57.3°
C17	C11	O03	C07	108.6°	107.7°
C17	C11	O03	H7	125.6°	126.6°
C17	C11	C07	H7	125.0°	129.4°
C17	C11	C07	C08	75.2°	72.8°
C17	C11	C07	C05	104.3°	107.4°
C11	C17	C18	H14	112.3°	118.2°
C11	C17	C18	H15	124.6°	118.1°
C24	C23	C22	H20	180.0°	179.7°
C24	C23	C22	H19	179.9°	179.7°
C23	C22	C21	H18	179.9°	180.0°
C22	C23	C24	H21	179.6°	179.7°
O03	C09	C08	H6	125.9°	125.8°
C09	O03	C11	C07	51.5°	50.3°
O03	C09	C08	C07	32.5°	32.1°
O03	C09	C08	C10	147.5°	147.8°
C09	O03	C11	H7	177.3°	176.1°
O03	C09	C18	H14	77.5°	152.8°
O03	C09	C18	H15	159.5°	83.5°
C08	C09	O03	C11	51.2°	50.4°
C09	C08	C07	C11	0.0°	0.2°
C09	C08	C10	C16	31.4°	64.8°
C09	C08	C07	C10	180.0°	179.9°
C09	C08	C07	C05	179.4°	180.0°
C09	C08	C10	C12	147.9°	115.0°
C08	C09	C18	H14	174.8°	48.5°
C08	C09	C18	H15	51.7°	172.2°
O03	C11	C07	H7	127.3°	125.9°
O03	C11	C07	C08	32.6°	31.9°
O03	C11	C07	C05	147.9°	147.9°
C11	O03	C09	H6	175.7°	176.1°
O03	C11	C17	H13	146.0°	152.9°
C11	C07	C08	C05	179.4°	179.8°
C11	C07	C08	C10	180.0°	179.8°
C11	C07	C05	C06	137.1°	115.3°
C11	C07	C05	C04	41.6°	64.2°
C07	C11	C17	H13	38.4°	48.5°
C15	C16	C10	H11	180.0°	179.5°
C15	C16	C10	C08	179.8°	179.7°
C16	C15	C14	H10	180.0°	179.8°
C15	C16	C10	C12	0.4°	0.5°
C16	C15	C14	O02	179.9°	179.7°
C16	C15	C14	C13	0.1°	0.3°
C16	C10	C08	C07	148.7°	115.3°
C16	C10	C08	C12	179.3°	179.8°
C10	C16	C15	C14	0.3°	0.5°
C16	C10	C12	C13	0.5°	0.3°
C16	C10	C12	H8	179.5°	179.8°
C10	C16	C15	H10	179.7°	179.7°
C07	C08	C10	C12	32.1°	64.9°
C08	C07	C05	C06	42.2°	65.0°
C08	C07	C05	C04	139.1°	115.5°
C07	C08	C09	H6	158.4°	157.9°
C08	C07	C11	H7	159.8°	157.8°
C10	C08	C07	C05	0.6°	0.0°
C08	C10	C12	C13	179.8°	180.0°
C10	C08	C09	H6	21.6°	22.0°
C08	C10	C12	H8	0.2°	0.0°
C08	C10	C16	H11	0.2°	0.2°
C15	C14	O02	C13	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.0°
C15	C14	C13	H9	179.9°	180.0°
C14	C15	C16	H11	179.7°	180.0°
C15	C14	O02	H12	180.0°	90.0°
C07	C05	C06	C04	178.8°	179.5°
C07	C05	C06	C01	179.5°	180.0°
C07	C05	C04	C03	179.6°	179.8°
C07	C05	C04	H3	0.4°	0.3°
C07	C05	C06	H4	0.5°	0.4°
C05	C07	C11	H7	20.7°	22.0°
C10	C12	C13	C14	0.3°	0.0°
C10	C12	C13	H8	180.0°	180.0°
C10	C12	C13	H9	179.7°	180.0°
C12	C10	C16	H11	179.5°	180.0°
C05	C06	C01	H4	180.0°	179.5°
C06	C05	C04	C03	0.8°	0.2°
C05	C06	C01	C02	0.3°	0.5°
C05	C06	C01	H1	179.7°	179.7°
C06	C05	C04	H3	179.2°	179.8°
C04	C05	C06	C01	0.7°	0.5°
C05	C04	C03	H3	180.0°	180.0°
C05	C04	C03	C02	0.5°	0.0°
C05	C04	C03	H2	179.5°	180.0°
C04	C05	C06	H4	179.3°	180.0°
C06	C01	C02	H1	180.0°	179.8°
C06	C01	C02	C03	0.0°	0.2°
C06	C01	C02	O01	180.0°	179.8°
O02	C14	C13	C12	179.9°	180.0°
O02	C14	C13	H9	0.1°	0.0°
O02	C14	C15	H10	0.1°	0.0°
C14	C13	C12	H9	180.0°	180.0°
C14	C13	C12	H8	179.7°	180.0°
C13	C14	C15	H10	179.9°	179.9°
C13	C14	O02	H12	0.0°	90.0°
C04	C03	C02	C01	0.0°	0.0°
C04	C03	C02	H2	180.0°	179.9°
C04	C03	C02	O01	179.9°	180.0°
C01	C02	C03	O01	180.0°	180.0°
C01	C02	C03	H2	180.0°	180.0°
C02	C01	C06	H4	179.7°	180.0°
C01	C02	O01	H5	180.0°	90.0°
C03	C02	C01	H1	180.0°	180.0°
C02	C03	C04	H3	179.5°	179.9°
C03	C02	O01	H5	0.0°	90.0°
O01	C02	C01	H1	0.0°	0.0°
O01	C02	C03	H2	0.1°	0.0°
H1	C01	C06	H4	0.3°	0.2°
H2	C03	C04	H3	0.5°	0.0°
H6	C09	C18	H14	47.3°	80.8°
H6	C09	C18	H15	75.8°	42.9°
H7	C11	C17	H13	86.8°	80.7°
H8	C12	C13	H9	0.3°	0.0°
H10	C15	C16	H11	0.3°	0.2°
H13	C17	C18	H14	131.9°	0.1°
H13	C17	C18	H15	8.9°	123.8°
H17	C20	C21	H18	0.7°	0.0°
H18	C21	C22	H19	0.1°	0.0°
H19	C22	C23	H20	0.1°	0.0°
H20	C23	C24	H21	0.4°	0.0°

Release date:	2016-06-01
Definition date:	2015-05-18
Last modified:	2016-05-27
Release status:	REL
Processing site:	RCSB
Derived from:	4ZUB