3VZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O60	C59	doub	1.21Å	1.25Å
C59	C58	sing	1.51Å	1.54Å
C59	O64	sing	1.34Å	1.27Å
C58	C15	sing	1.51Å	1.53Å
C1	C6	doub	1.36Å	1.40Å	Aromatic
C1	C2	sing	1.40Å	1.41Å	Aromatic
C15	C2	sing	1.47Å	1.41Å	Aromatic
C15	C14	doub	1.34Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C2	C3	doub	1.41Å	1.40Å	Aromatic
C14	N13	sing	1.37Å	1.36Å	Aromatic
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	C20	sing	1.48Å	1.50Å
C3	N13	sing	1.38Å	1.36Å	Aromatic
C3	C4	sing	1.39Å	1.40Å	Aromatic
N13	C37	sing	1.47Å	1.49Å
C26	C20	doub	1.39Å	1.41Å	Aromatic
C26	C25	sing	1.39Å	1.41Å	Aromatic
C20	C22	sing	1.39Å	1.40Å	Aromatic
N33	C25	sing	1.40Å	1.36Å
C25	C24	doub	1.39Å	1.39Å	Aromatic
C54	C52	sing	1.53Å	1.53Å
C22	C23	doub	1.39Å	1.40Å	Aromatic
C37	C38	sing	1.51Å	1.51Å
C38	C41	doub	1.38Å	1.39Å	Aromatic
C38	C45	sing	1.38Å	1.40Å	Aromatic
C41	C42	sing	1.38Å	1.40Å	Aromatic
C45	C44	doub	1.38Å	1.40Å	Aromatic
C42	C43	doub	1.38Å	1.41Å	Aromatic
C24	C23	sing	1.39Å	1.39Å	Aromatic
C44	C43	sing	1.38Å	1.41Å	Aromatic
C43	C52	sing	1.51Å	1.49Å
C23	N35	sing	1.40Å	1.35Å
C52	C56	sing	1.53Å	1.54Å
C1	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C24	H5	sing	1.08Å	1.08Å
O64	H6	sing	0.97Å	0.95Å
C58	H7	sing	1.09Å	1.10Å
C58	H8	sing	1.09Å	1.10Å
C37	H9	sing	1.09Å	1.10Å
C37	H10	sing	1.09Å	1.10Å
C41	H11	sing	1.08Å	1.08Å
C42	H12	sing	1.08Å	1.08Å
C52	H13	sing	1.09Å	1.10Å
C54	H14	sing	1.09Å	1.10Å
C54	H15	sing	1.09Å	1.10Å
C54	H16	sing	1.09Å	1.10Å
C56	H17	sing	1.09Å	1.10Å
C56	H18	sing	1.09Å	1.10Å
C56	H19	sing	1.09Å	1.10Å
C44	H20	sing	1.08Å	1.08Å
C45	H21	sing	1.08Å	1.08Å
C6	H22	sing	1.08Å	1.08Å
N35	H23	sing	0.97Å	1.00Å
N35	H24	sing	0.97Å	1.00Å
N33	H25	sing	0.97Å	1.00Å
N33	H26	sing	0.97Å	1.00Å
C26	H27	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O60	C59	C58	121.3°	120.0°
O60	C59	O64	120.4°	120.0°
C58	C59	O64	118.3°	120.0°
C59	C58	C15	110.5°	109.5°
C59	C58	H7	109.2°	109.5°
C59	C58	H8	109.2°	109.5°
C59	O64	H6	109.5°	117.0°
C58	C15	C2	128.1°	126.5°
C58	C15	C14	127.2°	126.5°
C15	C58	H7	109.2°	109.4°
C15	C58	H8	109.2°	109.4°
C6	C1	C2	120.1°	119.9°
C1	C6	C5	119.9°	120.4°
C6	C1	H1	120.0°	120.0°
C1	C6	H22	120.0°	119.8°
C1	C2	C15	131.6°	133.9°
C1	C2	C3	120.3°	120.1°
C2	C1	H1	119.9°	120.1°
C2	C15	C14	104.7°	107.0°
C15	C2	C3	108.1°	106.0°
C15	C14	N13	110.5°	110.0°
C15	C14	H3	124.8°	125.0°
C6	C5	C4	119.2°	120.4°
C6	C5	C20	121.4°	119.8°
C5	C6	H22	120.0°	119.8°
C2	C3	N13	108.3°	107.1°
C2	C3	C4	118.8°	119.5°
C14	N13	C3	108.4°	109.9°
C14	N13	C37	127.4°	125.1°
N13	C14	H3	124.7°	125.0°
C4	C5	C20	119.4°	119.8°
C5	C4	C3	121.7°	119.7°
C5	C4	H2	119.1°	120.1°
C5	C20	C26	123.1°	120.0°
C5	C20	C22	118.6°	120.0°
N13	C3	C4	132.9°	133.4°
C3	N13	C37	124.2°	125.1°
C3	C4	H2	119.2°	120.2°
N13	C37	C38	111.4°	109.5°
N13	C37	H9	109.0°	109.5°
N13	C37	H10	109.0°	109.5°
C20	C26	C25	121.4°	120.0°
C26	C20	C22	118.3°	119.9°
C20	C26	H27	119.3°	120.0°
C26	C25	N33	122.4°	120.0°
C26	C25	C24	119.3°	120.0°
C25	C26	H27	119.3°	120.0°
C20	C22	C23	119.7°	119.9°
C20	C22	H4	120.1°	120.1°
N33	C25	C24	118.3°	120.0°
C25	N33	H25	109.5°	120.0°
C25	N33	H26	109.5°	120.0°
C25	C24	C23	119.8°	120.1°
C25	C24	H5	120.1°	119.9°
C54	C52	C43	111.6°	109.5°
C54	C52	C56	112.2°	109.5°
C54	C52	H13	108.0°	109.5°
C52	C54	H14	109.5°	109.4°
C52	C54	H15	109.5°	109.5°
C52	C54	H16	109.5°	109.4°
C22	C23	C24	121.5°	120.0°
C22	C23	N35	119.8°	120.0°
C23	C22	H4	120.1°	120.0°
C37	C38	C41	119.5°	120.0°
C37	C38	C45	120.3°	120.0°
C38	C37	H9	109.0°	109.4°
C38	C37	H10	109.0°	109.5°
C41	C38	C45	120.2°	120.0°
C38	C41	C42	120.2°	120.0°
C38	C41	H11	119.9°	120.1°
C38	C45	C44	120.1°	120.0°
C38	C45	H21	120.0°	120.0°
C41	C42	C43	120.1°	120.0°
C42	C41	H11	119.9°	120.0°
C41	C42	H12	120.0°	120.0°
C45	C44	C43	120.1°	120.0°
C45	C44	H20	120.0°	119.9°
C44	C45	H21	120.0°	120.0°
C42	C43	C44	119.4°	120.0°
C42	C43	C52	119.2°	120.0°
C43	C42	H12	119.9°	120.0°
C24	C23	N35	118.7°	120.0°
C23	C24	H5	120.1°	119.9°
C44	C43	C52	121.4°	120.0°
C43	C44	H20	120.0°	120.1°
C43	C52	C56	108.6°	109.5°
C43	C52	H13	108.4°	109.4°
C23	N35	H23	109.5°	120.0°
C23	N35	H24	109.5°	120.0°
C56	C52	H13	107.9°	109.5°
C52	C56	H17	109.5°	109.5°
C52	C56	H18	109.5°	109.5°
C52	C56	H19	109.4°	109.5°
H7	C58	H8	109.4°	109.5°
H9	C37	H10	109.4°	109.5°
H14	C54	H15	109.4°	109.5°
H14	C54	H16	109.5°	109.5°
H15	C54	H16	109.5°	109.5°
H17	C56	H18	109.5°	109.5°
H17	C56	H19	109.4°	109.5°
H18	C56	H19	109.5°	109.4°
H23	N35	H24	109.5°	120.0°
H25	N33	H26	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O60	C59	C58	O64	179.0°	180.0°
O60	C59	C58	C15	118.4°	0.0°
O60	C59	O64	H6	0.0°	0.0°
O60	C59	C58	H7	1.8°	120.0°
O60	C59	C58	H8	121.4°	120.0°
C59	C58	C15	H7	120.2°	120.0°
C59	C58	C15	H8	120.2°	120.0°
C59	C58	C15	C2	44.0°	85.0°
C59	C58	C15	C14	133.8°	95.0°
C58	C59	O64	H6	179.0°	180.0°
C59	C58	H7	H8	119.5°	120.0°
O64	C59	C58	C15	60.6°	180.0°
O64	C59	C58	H7	179.2°	60.0°
O64	C59	C58	H8	59.6°	60.0°
C58	C15	C2	C1	1.3°	0.1°
C58	C15	C2	C14	178.2°	180.0°
C58	C15	C2	C3	178.5°	180.0°
C58	C15	C14	N13	178.6°	180.0°
C58	C15	C14	H3	1.4°	0.1°
C15	C58	H7	H8	119.5°	119.9°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C15	178.9°	179.9°
C1	C6	C5	H22	180.0°	179.9°
C6	C1	C2	C3	1.3°	0.0°
C1	C6	C5	C4	0.4°	0.1°
C1	C6	C5	C20	179.9°	179.9°
C1	C2	C15	C3	179.8°	180.0°
C1	C2	C15	C14	179.5°	179.9°
C2	C1	C6	C5	1.3°	0.1°
C1	C2	C3	N13	179.6°	179.9°
C1	C2	C3	C4	0.5°	0.0°
C2	C1	C6	H22	178.7°	180.0°
C2	C15	C14	N13	0.4°	0.0°
C15	C2	C3	N13	0.2°	0.0°
C15	C2	C3	C4	179.6°	180.0°
C15	C2	C1	H1	1.1°	0.4°
C2	C15	C14	H3	179.6°	179.9°
C2	C15	C58	H7	76.2°	155.0°
C2	C15	C58	H8	164.2°	35.0°
C14	C15	C2	C3	0.3°	0.0°
C15	C14	N13	H3	180.0°	179.9°
C15	C14	N13	C3	0.2°	0.0°
C15	C14	N13	C37	179.6°	180.0°
C14	C15	C58	H7	106.1°	25.0°
C14	C15	C58	H8	13.6°	145.0°
C6	C5	C4	C20	179.7°	180.0°
C6	C5	C4	C3	0.4°	0.1°
C6	C5	C20	C26	32.8°	179.7°
C6	C5	C20	C22	146.4°	0.0°
C5	C6	C1	H1	178.7°	179.6°
C6	C5	C4	H2	179.6°	179.9°
C2	C3	N13	C14	0.0°	0.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	N13	C4	179.8°	179.9°
C2	C3	N13	C37	179.8°	180.0°
C3	C2	C1	H1	178.7°	179.7°
C2	C3	C4	H2	179.6°	180.0°
C14	N13	C3	C37	179.8°	180.0°
C14	N13	C3	C4	179.8°	179.9°
C14	N13	C37	C38	12.6°	95.0°
C14	N13	C37	H9	133.0°	25.0°
C14	N13	C37	H10	107.7°	145.0°
C5	C4	C3	N13	179.5°	180.0°
C5	C4	C3	H2	180.0°	180.0°
C4	C5	C20	C26	147.5°	0.3°
C4	C5	C20	C22	33.3°	180.0°
C4	C5	C6	H22	179.6°	180.0°
C20	C5	C4	C3	179.3°	180.0°
C5	C20	C26	C22	179.2°	179.7°
C5	C20	C26	C25	179.6°	179.7°
C5	C20	C22	C23	179.8°	180.0°
C20	C5	C4	H2	0.7°	0.1°
C5	C20	C22	H4	0.2°	0.1°
C20	C5	C6	H22	0.1°	0.0°
C5	C20	C26	H27	0.4°	0.1°
C3	N13	C37	C38	167.6°	85.0°
N13	C3	C4	H2	0.6°	0.0°
C3	N13	C14	H3	179.7°	179.9°
C3	N13	C37	H9	47.2°	155.0°
C3	N13	C37	H10	72.1°	35.0°
C4	C3	N13	C37	0.0°	0.1°
N13	C37	C38	H9	120.3°	120.0°
N13	C37	C38	H10	120.3°	120.0°
N13	C37	C38	C41	103.4°	90.0°
N13	C37	C38	C45	74.5°	90.3°
C37	N13	C14	H3	0.4°	0.0°
N13	C37	H9	H10	119.1°	120.0°
C20	C26	C25	H27	180.0°	179.7°
C20	C26	C25	N33	179.9°	179.7°
C20	C26	C25	C24	0.2°	0.6°
C26	C20	C22	C23	0.5°	0.3°
C26	C20	C22	H4	179.5°	179.8°
C25	C26	C20	C22	0.3°	0.6°
C26	C25	N33	C24	179.7°	179.7°
C26	C25	C24	C23	0.3°	0.3°
C26	C25	C24	H5	179.7°	179.7°
C26	C25	N33	H25	180.0°	179.7°
C26	C25	N33	H26	60.0°	0.3°
C20	C22	C23	H4	180.0°	179.9°
C20	C22	C23	C24	0.6°	0.0°
C20	C22	C23	N35	179.9°	180.0°
C22	C20	C26	H27	179.7°	179.7°
N33	C25	C24	C23	180.0°	180.0°
N33	C25	C24	H5	0.0°	0.0°
C25	N33	H25	H26	120.0°	180.0°
N33	C25	C26	H27	0.1°	0.0°
C25	C24	C23	C22	0.5°	0.0°
C25	C24	C23	H5	180.0°	180.0°
C25	C24	C23	N35	180.0°	180.0°
C24	C25	N33	H25	0.3°	0.0°
C24	C25	N33	H26	120.3°	180.0°
C24	C25	C26	H27	179.8°	179.7°
C54	C52	C43	C42	122.7°	120.1°
C54	C52	C43	C44	58.6°	60.0°
C54	C52	C43	C56	124.1°	120.0°
C54	C52	C43	H13	118.8°	120.1°
C54	C52	C56	H13	118.9°	120.1°
C52	C54	H14	H15	120.0°	120.0°
C52	C54	H14	H16	120.0°	119.9°
C52	C54	H15	H16	120.0°	120.0°
C54	C52	C56	H17	180.0°	180.0°
C54	C52	C56	H18	60.0°	60.0°
C54	C52	C56	H19	60.0°	60.0°
C22	C23	C24	N35	179.5°	180.0°
C22	C23	C24	H5	179.5°	180.0°
C22	C23	N35	H23	180.0°	0.0°
C22	C23	N35	H24	60.0°	179.9°
C37	C38	C41	C45	177.9°	179.7°
C37	C38	C41	C42	178.3°	180.0°
C37	C38	C45	C44	177.9°	179.8°
C38	C37	H9	H10	119.1°	120.0°
C37	C38	C41	H11	1.8°	0.1°
C37	C38	C45	H21	2.1°	0.0°
C38	C41	C42	H11	180.0°	179.9°
C41	C38	C45	C44	0.1°	0.5°
C38	C41	C42	C43	0.5°	0.1°
C41	C38	C37	H9	136.3°	30.0°
C41	C38	C37	H10	16.9°	149.9°
C38	C41	C42	H12	179.5°	180.0°
C41	C38	C45	H21	179.9°	179.7°
C45	C38	C41	C42	0.4°	0.3°
C38	C45	C44	H21	180.0°	179.8°
C38	C45	C44	C43	0.1°	0.5°
C45	C38	C37	H9	45.8°	149.7°
C45	C38	C37	H10	165.2°	29.7°
C45	C38	C41	H11	179.7°	179.8°
C38	C45	C44	H20	179.9°	179.8°
C41	C42	C43	H12	180.0°	179.9°
C41	C42	C43	C44	0.3°	0.0°
C41	C42	C43	C52	179.0°	180.0°
C45	C44	C43	C42	0.0°	0.2°
C45	C44	C43	H20	180.0°	179.8°
C45	C44	C43	C52	178.6°	179.8°
C42	C43	C44	C52	178.6°	180.0°
C42	C43	C52	C56	113.1°	120.0°
C43	C42	C41	H11	179.5°	180.0°
C42	C43	C52	H13	3.9°	0.0°
C42	C43	C44	H20	180.0°	180.0°
C24	C23	C22	H4	179.4°	180.0°
C24	C23	N35	H23	0.5°	180.0°
C24	C23	N35	H24	119.5°	0.1°
C44	C43	C52	C56	65.5°	60.0°
C44	C43	C42	H12	179.7°	180.0°
C44	C43	C52	H13	177.5°	180.0°
C43	C44	C45	H21	179.9°	179.8°
C43	C52	C56	H13	117.3°	119.9°
C52	C43	C42	H12	1.0°	0.1°
C43	C52	C54	H14	180.0°	60.0°
C43	C52	C54	H15	60.0°	60.0°
C43	C52	C54	H16	60.0°	180.0°
C43	C52	C56	H17	56.2°	60.0°
C43	C52	C56	H18	176.2°	180.0°
C43	C52	C56	H19	63.8°	60.0°
C52	C43	C44	H20	1.4°	0.0°
N35	C23	C22	H4	0.1°	0.0°
N35	C23	C24	H5	0.0°	0.1°
C23	N35	H23	H24	120.0°	179.9°
C56	C52	C54	H14	57.9°	180.0°
C56	C52	C54	H15	177.9°	60.0°
C56	C52	C54	H16	62.1°	60.0°
C52	C56	H17	H18	120.0°	120.0°
C52	C56	H17	H19	120.0°	120.0°
C52	C56	H18	H19	120.0°	120.0°
H1	C1	C6	H22	1.3°	0.3°
H11	C41	C42	H12	0.5°	0.1°
H13	C52	C54	H14	60.9°	60.0°
H13	C52	C54	H15	59.1°	180.0°
H13	C52	C54	H16	179.1°	60.0°
H13	C52	C56	H17	61.1°	59.9°
H13	C52	C56	H18	58.9°	60.1°
H13	C52	C56	H19	178.9°	180.0°
H14	C54	H15	H16	120.0°	120.1°
H17	C56	H18	H19	120.0°	120.0°
H20	C44	C45	H21	0.1°	0.0°

Release date:	2015-12-23
Definition date:	2014-11-21
Last modified:	2015-12-18
Release status:	REL
Processing site:	RCSB
Derived from:	4WXR