5OK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	doub	1.38Å	1.40Å	Aromatic
C20	C19	sing	1.38Å	1.41Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C19	C18	doub	1.38Å	1.41Å	Aromatic
C22	C23	doub	1.38Å	1.38Å	Aromatic
C18	C23	sing	1.38Å	1.38Å	Aromatic
C18	S02	sing	1.76Å	1.79Å
O24	S02	doub	1.42Å	1.42Å
O01	S02	doub	1.42Å	1.44Å
S02	N03	sing	1.66Å	1.67Å
O14	C11	doub	1.22Å	1.23Å
N03	C04	sing	1.40Å	1.46Å
C09	C10	doub	1.36Å	1.35Å
C09	C08	sing	1.43Å	1.52Å
C11	C10	sing	1.42Å	1.52Å
C11	N12	sing	1.35Å	1.44Å
C05	C04	doub	1.39Å	1.38Å	Aromatic
C05	C06	sing	1.40Å	1.39Å	Aromatic
C08	C07	trip	1.17Å	1.19Å
C04	C17	sing	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.43Å	1.51Å
C06	C15	doub	1.40Å	1.38Å	Aromatic
O13	N12	sing	1.42Å	1.37Å
C17	C16	doub	1.38Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
N03	H1	sing	0.97Å	1.00Å
C05	H2	sing	1.08Å	1.08Å
C09	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
N12	H5	sing	0.97Å	1.00Å
O13	H6	sing	0.97Å	0.95Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å
C23	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	C19	119.0°	120.0°
C20	C21	C22	121.8°	120.0°
C21	C20	H11	120.5°	120.0°
C20	C21	H12	119.1°	120.0°
C20	C19	C18	117.9°	120.0°
C20	C19	H10	121.0°	120.1°
C19	C20	H11	120.5°	119.9°
C21	C22	C23	119.1°	120.0°
C22	C21	H12	119.1°	120.0°
C21	C22	H13	120.5°	120.0°
C19	C18	C23	122.3°	120.0°
C19	C18	S02	127.4°	120.0°
C18	C19	H10	121.1°	119.9°
C22	C23	C18	119.8°	120.0°
C23	C22	H13	120.4°	120.0°
C22	C23	H14	120.1°	120.1°
C23	C18	S02	110.2°	120.0°
C18	C23	H14	120.1°	120.0°
C18	S02	O24	110.8°	106.4°
C18	S02	O01	104.0°	106.4°
C18	S02	N03	112.0°	107.2°
O24	S02	O01	103.5°	123.2°
O24	S02	N03	114.2°	106.4°
O01	S02	N03	111.5°	106.4°
S02	N03	C04	121.3°	120.0°
S02	N03	H1	106.4°	120.0°
O14	C11	C10	119.3°	120.0°
O14	C11	N12	123.1°	120.0°
N03	C04	C05	118.7°	120.0°
N03	C04	C17	124.4°	120.0°
C04	N03	H1	106.4°	120.0°
C10	C09	C08	119.7°	120.0°
C09	C10	C11	115.1°	120.0°
C10	C09	H3	120.1°	120.0°
C09	C10	H4	122.5°	120.0°
C09	C08	C07	177.0°	179.9°
C08	C09	H3	120.2°	120.0°
C10	C11	N12	117.6°	120.0°
C11	C10	H4	122.5°	120.0°
C11	N12	O13	122.2°	120.0°
C11	N12	H5	118.9°	120.0°
C04	C05	C06	123.0°	119.8°
C05	C04	C17	116.8°	120.0°
C04	C05	H2	118.5°	120.1°
C05	C06	C07	118.8°	120.2°
C05	C06	C15	119.9°	119.7°
C06	C05	H2	118.5°	120.1°
C08	C07	C06	178.5°	180.0°
C04	C17	C16	120.7°	120.3°
C04	C17	H9	119.7°	119.8°
C07	C06	C15	121.3°	120.1°
C06	C15	C16	118.4°	120.0°
C06	C15	H7	120.8°	120.1°
O13	N12	H5	118.9°	119.9°
N12	O13	H6	109.5°	114.0°
C17	C16	C15	121.2°	120.2°
C17	C16	H8	119.4°	119.9°
C16	C17	H9	119.7°	119.9°
C16	C15	H7	120.8°	120.0°
C15	C16	H8	119.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	C19	H11	180.0°	180.0°
C20	C21	C22	H12	180.0°	180.0°
C21	C20	C19	C18	0.4°	0.0°
C20	C21	C22	C23	0.2°	0.1°
C21	C20	C19	H10	179.6°	180.0°
C20	C21	C22	H13	179.8°	180.0°
C19	C20	C21	C22	0.2°	0.1°
C20	C19	C18	H10	180.0°	180.0°
C20	C19	C18	C23	1.1°	0.0°
C20	C19	C18	S02	179.9°	179.7°
C19	C20	C21	H12	179.8°	180.0°
C21	C22	C23	H13	180.0°	179.9°
C21	C22	C23	C18	0.5°	0.1°
C22	C21	C20	H11	179.8°	180.0°
C21	C22	C23	H14	179.5°	179.8°
C19	C18	C23	C22	1.1°	0.0°
C19	C18	C23	S02	179.0°	179.8°
C19	C18	S02	O24	26.8°	23.8°
C19	C18	S02	O01	137.3°	156.7°
C19	C18	S02	N03	102.0°	89.7°
C18	C19	C20	H11	179.6°	180.0°
C19	C18	C23	H14	178.9°	179.7°
C22	C23	C18	H14	180.0°	179.7°
C22	C23	C18	S02	179.9°	179.7°
C23	C22	C21	H12	179.8°	179.9°
C23	C18	S02	O24	152.2°	156.5°
C23	C18	S02	O01	41.6°	23.5°
C23	C18	S02	N03	79.0°	90.0°
C23	C18	C19	H10	178.9°	180.0°
C18	C23	C22	H13	179.5°	180.0°
C18	S02	O24	O01	111.0°	123.0°
C18	S02	O24	N03	127.6°	114.1°
C18	S02	O01	N03	121.0°	114.1°
C18	S02	N03	C04	75.5°	65.0°
C18	S02	N03	H1	162.8°	115.0°
S02	C18	C19	H10	0.1°	0.2°
S02	C18	C23	H14	0.1°	0.0°
O24	S02	O01	N03	123.2°	122.9°
O24	S02	N03	C04	157.5°	48.5°
O24	S02	N03	H1	35.8°	131.4°
O01	S02	N03	C04	40.7°	178.5°
O01	S02	N03	H1	81.0°	1.5°
S02	N03	C04	H1	121.7°	180.0°
S02	N03	C04	C05	30.6°	134.7°
S02	N03	C04	C17	148.4°	45.0°
O14	C11	C10	C09	40.7°	0.1°
O14	C11	C10	N12	178.6°	179.9°
O14	C11	N12	O13	0.7°	0.0°
O14	C11	C10	H4	139.3°	180.0°
O14	C11	N12	H5	179.3°	180.0°
N03	C04	C05	C17	179.1°	179.7°
N03	C04	C05	C06	179.6°	180.0°
N03	C04	C17	C16	179.3°	179.7°
N03	C04	C05	H2	0.4°	0.0°
N03	C04	C17	H9	0.7°	0.0°
C10	C09	C08	H3	180.0°	179.9°
C09	C10	C11	H4	180.0°	179.9°
C09	C10	C11	N12	137.9°	180.0°
C10	C09	C08	C07	127.1°	146.5°
C08	C09	C10	C11	168.3°	180.0°
C09	C08	C07	C06	135.3°	107.6°
C08	C09	C10	H4	11.7°	0.1°
C10	C11	N12	O13	179.2°	180.0°
C11	C10	C09	H3	11.7°	0.1°
C10	C11	N12	H5	0.8°	0.1°
C11	N12	O13	H5	180.0°	180.0°
N12	C11	C10	H4	42.1°	0.1°
C11	N12	O13	H6	0.3°	180.0°
C04	C05	C06	H2	180.0°	180.0°
C04	C05	C06	C07	178.8°	180.0°
C04	C05	C06	C15	0.7°	0.0°
C05	C04	C17	C16	0.3°	0.6°
C05	C04	N03	H1	91.1°	45.3°
C05	C04	C17	H9	179.8°	179.7°
C05	C06	C07	C08	109.4°	141.2°
C06	C05	C04	C17	0.5°	0.3°
C05	C06	C07	C15	178.1°	179.9°
C05	C06	C15	C16	0.6°	0.0°
C05	C06	C15	H7	179.4°	180.0°
C08	C07	C06	C15	72.5°	38.9°
C07	C08	C09	H3	52.9°	33.6°
C04	C17	C16	H9	180.0°	179.7°
C04	C17	C16	C15	0.2°	0.6°
C17	C04	N03	H1	89.9°	135.0°
C17	C04	C05	H2	179.5°	179.7°
C04	C17	C16	H8	179.8°	179.7°
C07	C06	C15	C16	178.7°	180.0°
C07	C06	C05	H2	1.1°	0.1°
C07	C06	C15	H7	1.3°	0.1°
C06	C15	C16	C17	0.3°	0.3°
C06	C15	C16	H7	180.0°	180.0°
C15	C06	C05	H2	179.3°	180.0°
C06	C15	C16	H8	179.7°	180.0°
C17	C16	C15	H8	180.0°	179.7°
C17	C16	C15	H7	179.7°	179.7°
C15	C16	C17	H9	179.8°	179.7°
H3	C09	C10	H4	168.3°	180.0°
H5	N12	O13	H6	179.7°	0.1°
H7	C15	C16	H8	0.3°	0.0°
H8	C16	C17	H9	0.2°	0.0°
H10	C19	C20	H11	0.4°	0.1°
H11	C20	C21	H12	0.2°	0.0°
H12	C21	C22	H13	0.2°	0.0°
H13	C22	C23	H14	0.5°	0.3°

Release date:	2016-07-27
Definition date:	2015-10-29
Last modified:	2016-07-22
Release status:	REL
Processing site:	RCSB
Derived from:	5EFB