0KE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C19	sing	1.51Å	1.49Å
N20	C19	doub	1.32Å	1.34Å	Aromatic
N20	C21	sing	1.32Å	1.34Å	Aromatic
C19	C18	sing	1.39Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
O28	P27	doub	1.48Å	1.50Å
C18	O23	sing	1.36Å	1.39Å
C18	C17	doub	1.39Å	1.39Å	Aromatic
C22	C17	sing	1.39Å	1.39Å	Aromatic
C22	C25	sing	1.51Å	1.50Å
C17	C11	sing	1.51Å	1.50Å
O26	P27	sing	1.61Å	1.63Å
O26	C25	sing	1.43Å	1.43Å
P27	O29	sing	1.61Å	1.51Å
P27	O30	sing	1.61Å	1.51Å
C11	N8	sing	1.47Å	1.45Å
N8	C3	sing	1.40Å	1.39Å
O7	C4	doub	1.22Å	1.23Å
C3	C4	sing	1.46Å	1.49Å
C3	C2	doub	1.36Å	1.35Å
C4	N5	sing	1.34Å	1.38Å
C2	C1	sing	1.46Å	1.46Å
N5	O6	sing	1.42Å	1.42Å
N5	C16	sing	1.38Å	1.39Å
C1	C16	doub	1.41Å	1.38Å	Aromatic
C1	C14	sing	1.40Å	1.38Å	Aromatic
C16	C15	sing	1.39Å	1.38Å	Aromatic
C14	C13	doub	1.36Å	1.38Å	Aromatic
C15	C12	doub	1.38Å	1.37Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C12	O9	sing	1.36Å	1.40Å
O9	C10	sing	1.43Å	1.42Å
C14	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.09Å	1.10Å
C24	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C25	H14	sing	1.09Å	1.10Å
C25	H15	sing	1.09Å	1.10Å
N8	H16	sing	0.97Å	1.00Å
O29	H17	sing	0.97Å	0.95Å
O30	H18	sing	0.97Å	0.95Å
O23	H19	sing	0.97Å	0.95Å
O6	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C19	N20	117.2°	119.7°
C24	C19	C18	119.3°	119.7°
C19	C24	H6	109.5°	109.4°
C19	C24	H7	109.5°	109.5°
C19	C24	H8	109.5°	109.5°
C19	N20	C21	116.1°	121.8°
N20	C19	C18	123.4°	120.7°
N20	C21	C22	124.4°	120.9°
N20	C21	H4	117.8°	119.6°
C19	C18	O23	118.5°	120.4°
C19	C18	C17	119.7°	119.1°
C21	C22	C17	119.0°	119.2°
C21	C22	C25	118.7°	120.4°
C22	C21	H4	117.8°	119.5°
O28	P27	O26	102.8°	109.5°
O28	P27	O29	115.2°	109.5°
O28	P27	O30	114.4°	109.5°
O23	C18	C17	121.7°	120.5°
C18	O23	H19	109.5°	114.0°
C18	C17	C22	117.3°	118.3°
C18	C17	C11	123.5°	120.8°
C17	C22	C25	122.3°	120.4°
C22	C17	C11	119.2°	120.8°
C22	C25	O26	109.3°	109.5°
C22	C25	H14	109.5°	109.5°
C22	C25	H15	109.5°	109.5°
C17	C11	N8	116.2°	109.4°
C17	C11	H12	107.8°	109.5°
C17	C11	H13	107.7°	109.5°
P27	O26	C25	118.4°	123.0°
O26	P27	O29	101.4°	109.5°
O26	P27	O30	107.9°	109.5°
O26	C25	H14	109.5°	109.4°
O26	C25	H15	109.5°	109.5°
O29	P27	O30	113.4°	109.5°
P27	O29	H17	109.5°	114.0°
P27	O30	H18	109.5°	114.0°
C11	N8	C3	120.9°	120.0°
N8	C11	H12	107.7°	109.5°
N8	C11	H13	107.8°	109.4°
C11	N8	H16	106.5°	120.0°
N8	C3	C4	114.9°	120.2°
N8	C3	C2	126.8°	120.2°
C3	N8	H16	106.5°	120.0°
O7	C4	C3	120.0°	119.6°
O7	C4	N5	123.6°	119.6°
C4	C3	C2	118.3°	119.6°
C3	C4	N5	116.4°	120.8°
C3	C2	C1	122.4°	118.7°
C3	C2	H5	118.8°	120.6°
C4	N5	O6	117.4°	119.4°
C4	N5	C16	125.5°	121.2°
C2	C1	C16	119.7°	119.5°
C2	C1	C14	121.7°	120.6°
C1	C2	H5	118.8°	120.7°
O6	N5	C16	117.0°	119.4°
N5	O6	H20	109.5°	114.0°
N5	C16	C1	117.7°	120.2°
N5	C16	C15	120.9°	120.4°
C16	C1	C14	118.5°	119.9°
C1	C16	C15	121.5°	119.4°
C1	C14	C13	120.4°	119.9°
C1	C14	H1	119.8°	120.0°
C16	C15	C12	119.5°	119.7°
C16	C15	H3	120.3°	120.1°
C14	C13	C12	120.4°	120.5°
C13	C14	H1	119.8°	120.1°
C14	C13	H2	119.8°	119.8°
C15	C12	C13	119.7°	120.6°
C15	C12	O9	115.9°	119.7°
C12	C15	H3	120.3°	120.1°
C13	C12	O9	124.4°	119.7°
C12	C13	H2	119.8°	119.7°
C12	O9	C10	113.1°	117.0°
O9	C10	H9	109.5°	109.5°
O9	C10	H10	109.5°	109.5°
O9	C10	H11	109.5°	109.5°
H6	C24	H7	109.5°	109.4°
H6	C24	H8	109.5°	109.5°
H7	C24	H8	109.4°	109.5°
H9	C10	H10	109.5°	109.4°
H9	C10	H11	109.5°	109.4°
H10	C10	H11	109.4°	109.5°
H12	C11	H13	109.5°	109.5°
H14	C25	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C19	N20	C18	179.3°	179.7°
C24	C19	N20	C21	180.0°	179.7°
C24	C19	C18	O23	0.6°	0.0°
C24	C19	C18	C17	179.9°	180.0°
C19	C24	H6	H7	120.0°	120.0°
C19	C24	H6	H8	120.0°	120.0°
C19	C24	H7	H8	120.0°	120.0°
C19	N20	C21	C22	0.0°	0.6°
N20	C19	C18	O23	178.7°	179.8°
N20	C19	C18	C17	0.6°	0.3°
C19	N20	C21	H4	180.0°	179.7°
N20	C19	C24	H6	0.0°	89.7°
N20	C19	C24	H7	120.0°	30.2°
N20	C19	C24	H8	120.0°	150.3°
C21	N20	C19	C18	0.7°	0.6°
N20	C21	C22	H4	180.0°	179.7°
N20	C21	C22	C17	0.7°	0.3°
N20	C21	C22	C25	178.6°	179.7°
C19	C18	O23	C17	179.3°	180.0°
C19	C18	C17	C22	0.1°	0.1°
C19	C18	C17	C11	179.6°	179.9°
C18	C19	C24	H6	179.3°	90.0°
C18	C19	C24	H7	59.3°	150.0°
C18	C19	C24	H8	60.6°	30.0°
C19	C18	O23	H19	180.0°	90.0°
C21	C22	C17	C18	0.7°	0.1°
C21	C22	C17	C25	179.3°	180.0°
C21	C22	C17	C11	179.8°	179.9°
C21	C22	C25	O26	120.8°	0.0°
C21	C22	C25	H14	0.8°	120.0°
C21	C22	C25	H15	119.2°	120.0°
O28	P27	O26	O29	119.4°	120.0°
O28	P27	O26	O30	121.2°	120.0°
O28	P27	O26	C25	97.9°	55.0°
O28	P27	O29	O30	134.5°	120.0°
O28	P27	O29	H17	0.0°	60.0°
O28	P27	O30	H18	0.0°	180.0°
O23	C18	C17	C22	179.4°	179.9°
O23	C18	C17	C11	1.1°	0.1°
C18	C17	C22	C11	179.5°	179.9°
C18	C17	C22	C25	178.6°	180.0°
C18	C17	C11	N8	18.9°	90.1°
C18	C17	C11	H12	102.1°	29.9°
C18	C17	C11	H13	139.9°	150.0°
C17	C18	O23	H19	0.7°	90.1°
C17	C22	C25	O26	59.9°	180.0°
C22	C17	C11	N8	160.6°	90.1°
C17	C22	C21	H4	179.3°	179.9°
C22	C17	C11	H12	78.5°	149.9°
C22	C17	C11	H13	39.6°	29.9°
C17	C22	C25	H14	179.9°	60.0°
C17	C22	C25	H15	60.1°	60.0°
C25	C22	C17	C11	0.9°	0.1°
C22	C25	O26	P27	153.0°	180.0°
C22	C25	O26	H14	120.0°	120.0°
C22	C25	O26	H15	120.0°	120.0°
C25	C22	C21	H4	1.4°	0.0°
C22	C25	H14	H15	120.1°	120.0°
C17	C11	N8	H12	121.0°	120.0°
C17	C11	N8	H13	121.0°	120.0°
C17	C11	N8	C3	158.6°	180.0°
C17	C11	H12	H13	116.9°	120.1°
C17	C11	N8	H16	37.0°	0.0°
O26	P27	O29	O30	115.4°	120.0°
P27	O26	C25	H14	33.0°	60.0°
P27	O26	C25	H15	87.1°	60.0°
O26	P27	O29	H17	110.1°	180.0°
O26	P27	O30	H18	113.7°	60.0°
C25	O26	P27	O29	142.8°	175.0°
C25	O26	P27	O30	23.4°	65.0°
O26	C25	H14	H15	120.1°	120.0°
O29	P27	O30	H18	134.9°	60.0°
O30	P27	O29	H17	134.5°	60.0°
C11	N8	C3	H16	121.6°	180.0°
C11	N8	C3	C4	174.7°	0.0°
C11	N8	C3	C2	4.5°	180.0°
N8	C11	H12	H13	116.9°	119.9°
N8	C3	C4	O7	0.5°	0.0°
N8	C3	C4	C2	179.3°	180.0°
N8	C3	C4	N5	179.8°	180.0°
N8	C3	C2	C1	179.4°	180.0°
N8	C3	C2	H5	0.6°	0.0°
C3	N8	C11	H12	80.5°	60.0°
C3	N8	C11	H13	37.6°	60.0°
O7	C4	C3	N5	179.7°	179.9°
O7	C4	C3	C2	178.8°	180.0°
O7	C4	N5	O6	1.9°	0.0°
O7	C4	N5	C16	178.1°	180.0°
C4	C3	C2	C1	0.1°	0.0°
C3	C4	N5	O6	177.8°	180.0°
C3	C4	N5	C16	1.6°	0.0°
C4	C3	C2	H5	179.8°	180.0°
C4	C3	N8	H16	53.1°	180.0°
C2	C3	C4	N5	0.9°	0.0°
C3	C2	C1	H5	180.0°	180.0°
C3	C2	C1	C16	0.0°	0.0°
C3	C2	C1	C14	179.0°	180.0°
C2	C3	N8	H16	126.1°	0.0°
C4	N5	O6	C16	176.5°	180.0°
C4	N5	C16	C1	1.4°	0.0°
C4	N5	C16	C15	179.0°	180.0°
C4	N5	O6	H20	0.8°	0.1°
C2	C1	C16	N5	0.5°	0.1°
C2	C1	C16	C14	179.0°	179.9°
C2	C1	C16	C15	179.9°	180.0°
C2	C1	C14	C13	179.2°	180.0°
C2	C1	C14	H1	0.8°	0.4°
O6	N5	C16	C1	177.6°	180.0°
O6	N5	C16	C15	2.8°	0.0°
N5	C16	C1	C15	179.6°	179.9°
N5	C16	C1	C14	179.6°	180.0°
N5	C16	C15	C12	179.1°	179.7°
N5	C16	C15	H3	1.0°	0.3°
C16	N5	O6	H20	177.3°	180.0°
C16	C1	C14	C13	1.8°	0.1°
C1	C16	C15	C12	0.5°	0.4°
C16	C1	C14	H1	178.2°	179.7°
C1	C16	C15	H3	179.5°	179.8°
C16	C1	C2	H5	180.0°	180.0°
C14	C1	C16	C15	0.9°	0.1°
C1	C14	C13	H1	180.0°	179.7°
C1	C14	C13	C12	1.4°	0.3°
C1	C14	C13	H2	178.6°	179.8°
C14	C1	C2	H5	1.0°	0.1°
C16	C15	C12	H3	180.0°	179.4°
C16	C15	C12	C13	0.9°	0.6°
C16	C15	C12	O9	178.4°	179.9°
C14	C13	C12	C15	0.0°	0.6°
C14	C13	C12	H2	180.0°	179.9°
C14	C13	C12	O9	179.2°	180.0°
C15	C12	C13	O9	179.2°	179.4°
C15	C12	O9	C10	175.3°	179.4°
C15	C12	C13	H2	180.0°	179.5°
C13	C12	O9	C10	5.4°	0.0°
C12	C13	C14	H1	178.6°	180.0°
C13	C12	C15	H3	179.1°	180.0°
O9	C12	C13	H2	0.7°	0.0°
O9	C12	C15	H3	1.7°	0.6°
C12	O9	C10	H9	180.0°	180.0°
C12	O9	C10	H10	60.0°	60.1°
C12	O9	C10	H11	60.0°	60.0°
O9	C10	H9	H10	120.0°	120.0°
O9	C10	H9	H11	120.0°	120.1°
O9	C10	H10	H11	120.0°	120.1°
H1	C14	C13	H2	1.4°	0.1°
H6	C24	H7	H8	120.0°	120.0°
H9	C10	H10	H11	120.0°	119.9°
H12	C11	N8	H16	157.9°	120.1°
H13	C11	N8	H16	84.0°	120.0°

Release date:	2012-11-02
Definition date:	2012-08-16
Last modified:	2012-11-02
Release status:	REL
Processing site:	RCSB
Derived from:	4GE4