7PQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C17	sing	1.43Å	1.44Å
O16	C15	sing	1.43Å	1.45Å
C25	C26	doub	1.39Å	1.41Å	Aromatic
C25	C24	sing	1.36Å	1.39Å	Aromatic
C18	C17	sing	1.53Å	1.54Å
C18	N13	sing	1.47Å	1.49Å
C26	C27	sing	1.36Å	1.39Å	Aromatic
C14	C15	sing	1.53Å	1.55Å
C14	N13	sing	1.47Å	1.49Å
C24	C19	doub	1.40Å	1.44Å	Aromatic
C12	N13	sing	1.47Å	1.48Å
C12	C11	sing	1.53Å	1.54Å
C27	C20	doub	1.41Å	1.42Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.40Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
N10	C11	sing	1.46Å	1.47Å
N10	C8	sing	1.35Å	1.36Å
C19	C20	sing	1.42Å	1.47Å	Aromatic
C19	C7	sing	1.42Å	1.47Å	Aromatic
C20	C21	sing	1.41Å	1.41Å	Aromatic
C8	C3	sing	1.48Å	1.50Å
C8	O9	doub	1.22Å	1.23Å
C3	C2	doub	1.40Å	1.42Å	Aromatic
C6	C7	sing	1.48Å	1.53Å
C6	C1	doub	1.40Å	1.43Å	Aromatic
C7	C23	doub	1.38Å	1.44Å	Aromatic
C21	C22	doub	1.36Å	1.38Å	Aromatic
C2	C1	sing	1.38Å	1.40Å	Aromatic
C23	C22	sing	1.39Å	1.43Å	Aromatic
C23	C28	sing	1.51Å	1.53Å
C28	N29	sing	1.47Å	1.45Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C21	H19	sing	1.08Å	1.08Å
C22	H20	sing	1.08Å	1.08Å
C24	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å
C26	H23	sing	1.08Å	1.08Å
C27	H24	sing	1.08Å	1.08Å
C28	H25	sing	1.09Å	1.10Å
C28	H26	sing	1.09Å	1.10Å
N29	H27	sing	1.01Å	1.00Å
N29	H28	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	O16	C15	108.7°	113.8°
O16	C17	C18	109.0°	109.2°
O16	C17	H15	109.6°	109.5°
O16	C17	H16	109.6°	109.5°
O16	C15	C14	109.8°	109.3°
O16	C15	H13	109.4°	109.5°
O16	C15	H14	109.4°	109.5°
C26	C25	C24	121.1°	120.9°
C25	C26	C27	121.2°	121.0°
C26	C25	H22	119.4°	119.6°
C25	C26	H23	119.4°	119.5°
C25	C24	C19	120.5°	119.7°
C25	C24	H21	119.8°	120.1°
C24	C25	H22	119.5°	119.5°
C17	C18	N13	110.6°	109.3°
C18	C17	H15	109.6°	109.5°
C18	C17	H16	109.6°	109.6°
C17	C18	H17	109.2°	109.5°
C17	C18	H18	109.2°	109.6°
C18	N13	C14	110.1°	110.7°
C18	N13	C12	107.7°	111.0°
N13	C18	H17	109.2°	109.5°
N13	C18	H18	109.2°	109.5°
C26	C27	C20	120.2°	119.6°
C27	C26	H23	119.4°	119.6°
C26	C27	H24	119.9°	120.2°
C15	C14	N13	109.9°	109.2°
C15	C14	H11	109.3°	109.5°
C15	C14	H12	109.4°	109.5°
C14	C15	H13	109.4°	109.5°
C14	C15	H14	109.4°	109.5°
C14	N13	C12	106.2°	111.0°
N13	C14	H11	109.4°	109.5°
N13	C14	H12	109.3°	109.5°
C24	C19	C20	117.8°	119.4°
C24	C19	C7	123.0°	121.3°
C19	C24	H21	119.8°	120.2°
N13	C12	C11	111.2°	109.5°
N13	C12	H8	109.1°	109.5°
N13	C12	H9	109.1°	109.5°
C12	C11	N10	108.5°	109.5°
C12	C11	H6	109.7°	109.5°
C12	C11	H7	109.7°	109.5°
C11	C12	H8	109.1°	109.4°
C11	C12	H9	109.1°	109.4°
C27	C20	C19	119.2°	119.3°
C27	C20	C21	120.5°	121.2°
C20	C27	H24	119.9°	120.2°
C5	C4	C3	121.0°	120.0°
C4	C5	C6	120.5°	120.0°
C5	C4	H3	119.5°	119.9°
C4	C5	H4	119.8°	120.0°
C4	C3	C8	119.7°	120.0°
C4	C3	C2	119.0°	120.0°
C3	C4	H3	119.5°	120.1°
C5	C6	C7	121.8°	120.0°
C5	C6	C1	118.6°	120.0°
C6	C5	H4	119.7°	120.0°
C11	N10	C8	122.3°	120.1°
C11	N10	H5	118.9°	120.0°
N10	C11	H6	109.7°	109.5°
N10	C11	H7	109.7°	109.4°
N10	C8	C3	119.3°	120.1°
N10	C8	O9	120.3°	119.9°
C8	N10	H5	118.9°	120.0°
C20	C19	C7	119.2°	119.3°
C19	C20	C21	120.3°	119.5°
C19	C7	C6	121.7°	120.4°
C19	C7	C23	117.4°	119.3°
C20	C21	C22	120.0°	120.1°
C20	C21	H19	120.0°	120.0°
C3	C8	O9	120.4°	120.0°
C8	C3	C2	121.3°	120.0°
C3	C2	C1	120.3°	119.9°
C3	C2	H2	119.9°	120.0°
C7	C6	C1	119.5°	119.9°
C6	C7	C23	120.9°	120.4°
C6	C1	C2	120.6°	120.0°
C6	C1	H1	119.7°	120.0°
C7	C23	C22	120.5°	120.7°
C7	C23	C28	120.6°	119.6°
C21	C22	C23	122.7°	121.1°
C22	C21	H19	120.0°	119.9°
C21	C22	H20	118.7°	119.5°
C2	C1	H1	119.7°	120.0°
C1	C2	H2	119.9°	120.0°
C22	C23	C28	118.8°	119.7°
C23	C22	H20	118.7°	119.4°
C23	C28	N29	112.0°	109.5°
C23	C28	H25	108.8°	109.5°
C23	C28	H26	108.8°	109.5°
N29	C28	H25	108.8°	109.5°
N29	C28	H26	108.8°	109.4°
C28	N29	H27	109.5°	111.0°
C28	N29	H28	109.4°	111.0°
H6	C11	H7	109.5°	109.5°
H8	C12	H9	109.4°	109.5°
H11	C14	H12	109.5°	109.6°
H13	C15	H14	109.5°	109.5°
H15	C17	H16	109.5°	109.6°
H17	C18	H18	109.5°	109.5°
H25	C28	H26	109.5°	109.4°
H27	N29	H28	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C17	C18	H15	119.9°	119.9°
O16	C17	C18	H16	119.9°	119.9°
O16	C17	C18	N13	59.8°	56.9°
C17	O16	C15	C14	64.4°	58.7°
C17	O16	C15	H13	55.6°	178.6°
C17	O16	C15	H14	175.5°	61.2°
O16	C17	H15	H16	120.2°	120.1°
O16	C17	C18	H17	60.4°	176.8°
O16	C17	C18	H18	180.0°	63.1°
C15	O16	C17	C18	64.4°	58.7°
O16	C15	C14	H13	120.0°	119.9°
O16	C15	C14	H14	120.0°	120.0°
O16	C15	C14	N13	58.9°	56.8°
O16	C15	C14	H11	179.0°	63.1°
O16	C15	C14	H12	61.2°	176.8°
O16	C15	H13	H14	119.9°	120.1°
C15	O16	C17	H15	175.7°	178.6°
C15	O16	C17	H16	55.5°	61.3°
C26	C25	C24	H22	180.0°	179.9°
C25	C26	C27	H23	180.0°	179.9°
C26	C25	C24	C19	0.7°	0.1°
C25	C26	C27	C20	0.3°	0.1°
C26	C25	C24	H21	179.3°	180.0°
C25	C26	C27	H24	179.7°	180.0°
C24	C25	C26	C27	0.7°	0.1°
C25	C24	C19	H21	180.0°	179.9°
C25	C24	C19	C20	0.3°	0.0°
C25	C24	C19	C7	179.5°	180.0°
C24	C25	C26	H23	179.3°	180.0°
C17	C18	N13	H17	120.2°	119.9°
C17	C18	N13	H18	120.1°	120.0°
C17	C18	N13	C14	54.4°	58.7°
C17	C18	N13	C12	169.8°	177.6°
C18	C17	H15	H16	120.2°	120.2°
C17	C18	H17	H18	119.4°	120.1°
C18	N13	C14	C15	53.5°	58.6°
C18	N13	C14	C12	116.4°	123.7°
C18	N13	C12	C11	79.6°	66.4°
C18	N13	C12	H8	160.1°	53.5°
C18	N13	C12	H9	40.7°	173.6°
C18	N13	C14	H11	173.5°	61.2°
C18	N13	C14	H12	66.6°	178.5°
N13	C18	C17	H15	179.7°	176.8°
N13	C18	C17	H16	60.1°	63.0°
N13	C18	H17	H18	119.5°	120.1°
C26	C27	C20	H24	180.0°	179.9°
C26	C27	C20	C19	0.1°	0.0°
C26	C27	C20	C21	179.4°	179.9°
C27	C26	C25	H22	179.3°	180.0°
C15	C14	N13	H11	120.0°	119.9°
C15	C14	N13	H12	120.1°	119.9°
C15	C14	N13	C12	169.9°	177.6°
C15	C14	H11	H12	119.8°	120.1°
C14	C15	H13	H14	119.9°	120.1°
C14	N13	C12	C11	162.4°	170.0°
C14	N13	C12	H8	42.1°	70.0°
C14	N13	C12	H9	77.3°	50.0°
N13	C14	H11	H12	119.8°	120.2°
N13	C14	C15	H13	61.2°	176.8°
N13	C14	C15	H14	178.9°	63.1°
C14	N13	C18	H17	65.8°	178.6°
C14	N13	C18	H18	174.5°	61.3°
C24	C19	C20	C27	0.1°	0.0°
C24	C19	C20	C7	179.3°	180.0°
C24	C19	C20	C21	179.4°	179.9°
C24	C19	C7	C6	0.7°	0.1°
C24	C19	C7	C23	179.5°	179.8°
C19	C24	C25	H22	179.3°	180.0°
N13	C12	C11	H8	120.3°	120.0°
N13	C12	C11	H9	120.3°	120.0°
N13	C12	C11	N10	179.1°	180.0°
N13	C12	C11	H6	59.3°	60.0°
N13	C12	C11	H7	61.0°	60.0°
N13	C12	H8	H9	119.2°	120.1°
C12	N13	C14	H11	70.1°	62.5°
C12	N13	C14	H12	49.8°	57.7°
C12	N13	C18	H17	49.6°	57.7°
C12	N13	C18	H18	70.1°	62.4°
C12	C11	N10	H6	119.9°	120.0°
C12	C11	N10	H7	119.8°	120.0°
C12	C11	N10	C8	179.6°	180.0°
C12	C11	N10	H5	0.3°	0.0°
C12	C11	H6	H7	120.4°	120.0°
C11	C12	H8	H9	119.2°	119.9°
C27	C20	C19	C21	179.5°	179.9°
C27	C20	C19	C7	179.2°	180.0°
C27	C20	C21	C22	179.9°	180.0°
C27	C20	C21	H19	0.1°	0.1°
C20	C27	C26	H23	179.7°	180.0°
C5	C4	C3	H3	180.0°	179.7°
C4	C5	C6	H4	180.0°	179.7°
C5	C4	C3	C8	179.8°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C4	C5	C6	C7	179.3°	180.0°
C4	C5	C6	C1	0.2°	0.6°
C3	C4	C5	C6	0.1°	0.3°
C4	C3	C8	N10	7.7°	0.0°
C4	C3	C8	C2	180.0°	180.0°
C4	C3	C8	O9	171.6°	180.0°
C4	C3	C2	C1	0.1°	0.1°
C4	C3	C2	H2	180.0°	179.9°
C3	C4	C5	H4	179.9°	180.0°
C5	C6	C7	C19	118.4°	114.7°
C5	C6	C7	C1	179.1°	179.4°
C5	C6	C7	C23	61.8°	65.0°
C5	C6	C1	C2	0.4°	0.6°
C5	C6	C1	H1	179.6°	179.7°
C6	C5	C4	H3	179.9°	180.0°
C11	N10	C8	H5	180.0°	180.0°
C11	N10	C8	C3	154.8°	180.0°
C11	N10	C8	O9	25.9°	0.0°
N10	C11	H6	H7	120.5°	119.9°
N10	C11	C12	H8	60.6°	60.0°
N10	C11	C12	H9	58.9°	60.0°
N10	C8	C3	O9	179.3°	180.0°
N10	C8	C3	C2	172.3°	180.0°
C8	N10	C11	H6	59.8°	60.0°
C8	N10	C11	H7	60.5°	60.0°
C20	C19	C7	C6	178.5°	179.9°
C20	C19	C7	C23	1.3°	0.3°
C19	C20	C21	C22	0.5°	0.1°
C19	C20	C21	H19	179.5°	180.0°
C20	C19	C24	H21	179.7°	180.0°
C19	C20	C27	H24	179.9°	180.0°
C7	C19	C20	C21	1.3°	0.1°
C19	C7	C6	C23	179.8°	179.7°
C19	C7	C6	C1	62.5°	64.7°
C19	C7	C23	C22	0.5°	0.6°
C19	C7	C23	C28	179.9°	179.7°
C7	C19	C24	H21	0.5°	0.1°
C20	C21	C22	H19	180.0°	179.9°
C20	C21	C22	C23	0.3°	0.2°
C20	C21	C22	H20	179.7°	180.0°
C21	C20	C27	H24	0.5°	0.0°
C8	C3	C2	C1	179.9°	180.0°
C8	C3	C2	H2	0.0°	0.1°
C8	C3	C4	H3	0.2°	0.3°
C3	C8	N10	H5	25.3°	0.1°
O9	C8	C3	C2	8.4°	0.0°
O9	C8	N10	H5	154.1°	180.0°
C3	C2	C1	C6	0.4°	0.4°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	H1	179.7°	180.0°
C2	C3	C4	H3	179.8°	179.7°
C7	C6	C1	C2	179.6°	180.0°
C6	C7	C23	C22	179.3°	179.8°
C6	C7	C23	C28	0.3°	0.1°
C7	C6	C1	H1	0.5°	0.3°
C7	C6	C5	H4	0.7°	0.3°
C1	C6	C7	C23	117.3°	115.6°
C6	C1	C2	H1	180.0°	179.6°
C6	C1	C2	H2	179.7°	179.8°
C1	C6	C5	H4	179.8°	179.7°
C7	C23	C22	C21	0.3°	0.5°
C7	C23	C22	C28	179.6°	179.7°
C7	C23	C28	N29	152.2°	80.0°
C7	C23	C22	H20	179.7°	179.7°
C7	C23	C28	H25	31.8°	160.0°
C7	C23	C28	H26	87.5°	40.0°
C21	C22	C23	H20	180.0°	179.8°
C21	C22	C23	C28	179.3°	179.7°
C22	C23	C28	N29	27.4°	99.7°
C23	C22	C21	H19	179.7°	179.7°
C22	C23	C28	H25	147.8°	20.3°
C22	C23	C28	H26	92.9°	140.3°
C23	C28	N29	H25	120.4°	120.0°
C23	C28	N29	H26	120.4°	120.0°
C28	C23	C22	H20	0.7°	0.1°
C23	C28	H25	H26	118.9°	120.0°
C23	C28	N29	H27	180.0°	179.9°
C23	C28	N29	H28	60.0°	56.1°
N29	C28	H25	H26	118.8°	120.0°
C28	N29	H27	H28	120.0°	123.9°
H1	C1	C2	H2	0.3°	0.1°
H3	C4	C5	H4	0.1°	0.3°
H5	N10	C11	H6	120.2°	120.1°
H5	N10	C11	H7	119.5°	120.0°
H6	C11	C12	H8	179.6°	180.0°
H6	C11	C12	H9	61.0°	60.1°
H7	C11	C12	H8	59.3°	60.0°
H7	C11	C12	H9	178.7°	179.9°
H11	C14	C15	H13	58.9°	56.9°
H11	C14	C15	H14	61.0°	177.0°
H12	C14	C15	H13	178.8°	63.3°
H12	C14	C15	H14	58.9°	56.8°
H15	C17	C18	H17	59.5°	63.3°
H15	C17	C18	H18	60.1°	56.8°
H16	C17	C18	H17	179.7°	56.9°
H16	C17	C18	H18	60.0°	177.0°
H19	C21	C22	H20	0.3°	0.1°
H21	C24	C25	H22	0.7°	0.1°
H22	C25	C26	H23	0.7°	0.1°
H23	C26	C27	H24	0.3°	0.1°
H25	C28	N29	H27	59.6°	59.9°
H25	C28	N29	H28	179.6°	176.1°
H26	C28	N29	H27	59.6°	60.0°
H26	C28	N29	H28	60.4°	63.9°

Definition date:	2012-03-29
Last modified:	2012-05-11
Release status:	REL
Processing site:	RCSB
Derived from:	4EC0