PZW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C19	sing	1.54Å	1.60Å
C20	N21	sing	1.48Å	1.38Å
N18	C19	sing	1.46Å	1.45Å
N18	C17	sing	1.40Å	1.42Å
C19	C22	sing	1.54Å	1.60Å
C1	C2	sing	1.51Å	1.51Å
N21	C22	sing	1.48Å	1.38Å
C17	C2	doub	1.39Å	1.39Å	Aromatic
C17	C16	sing	1.39Å	1.41Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.40Å	Aromatic
C3	C4	doub	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.53Å	1.53Å
C15	C4	sing	1.39Å	1.38Å	Aromatic
C15	N14	sing	1.40Å	1.43Å
C4	O5	sing	1.36Å	1.34Å
C12	N14	sing	1.46Å	1.48Å
C12	C10	sing	1.51Å	1.52Å
N14	C7	sing	1.38Å	1.41Å
O5	C6	sing	1.42Å	1.43Å
O11	C10	doub	1.21Å	1.21Å
C10	N9	sing	1.35Å	1.35Å
C7	C6	sing	1.51Å	1.53Å
C7	N8	doub	1.29Å	1.29Å
N9	N8	sing	1.40Å	1.39Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
N9	H7	sing	0.97Å	1.00Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.08Å	1.08Å
N18	H13	sing	0.97Å	1.00Å
C19	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C20	H16	sing	1.09Å	1.10Å
N21	H17	sing	1.01Å	1.00Å
C22	H19	sing	1.09Å	1.10Å
C22	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C20	N21	84.0°	86.1°
C20	C19	N18	114.0°	113.7°
C20	C19	C22	85.5°	86.3°
C20	C19	H14	112.4°	113.8°
C19	C20	H15	115.4°	113.8°
C19	C20	H16	115.4°	113.7°
C20	N21	C22	103.8°	90.8°
N21	C20	H15	115.4°	113.7°
N21	C20	H16	115.4°	113.7°
C20	N21	H17	110.9°	111.0°
C19	N18	C17	120.2°	120.0°
N18	C19	C22	114.2°	113.8°
C19	N18	H13	106.7°	120.0°
N18	C19	H14	114.9°	112.9°
N18	C17	C2	120.0°	120.1°
N18	C17	C16	120.3°	120.1°
C17	N18	H13	106.8°	120.0°
C19	C22	N21	84.0°	86.2°
C22	C19	H14	112.4°	113.8°
C19	C22	H19	115.4°	113.7°
C19	C22	H20	115.4°	113.8°
C1	C2	C17	120.0°	119.9°
C1	C2	C3	119.8°	119.9°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.4°
C2	C1	H3	109.5°	109.4°
C22	N21	H17	110.9°	111.0°
N21	C22	H19	115.4°	113.7°
N21	C22	H20	115.4°	113.8°
C2	C17	C16	119.6°	119.8°
C17	C2	C3	120.2°	120.2°
C17	C16	C15	119.7°	119.9°
C17	C16	H12	120.1°	120.1°
C2	C3	C4	120.4°	120.3°
C2	C3	H4	119.8°	119.8°
C16	C15	C4	120.2°	120.3°
C16	C15	N14	120.5°	120.0°
C15	C16	H12	120.1°	120.1°
C3	C4	C15	119.8°	119.5°
C3	C4	O5	119.3°	119.2°
C4	C3	H4	119.8°	119.9°
C13	C12	N14	109.3°	109.5°
C13	C12	C10	109.4°	109.5°
C13	C12	H8	109.1°	109.5°
C12	C13	H9	109.5°	109.5°
C12	C13	H10	109.5°	109.5°
C12	C13	H11	109.5°	109.5°
C4	C15	N14	119.2°	119.7°
C15	C4	O5	120.9°	121.3°
C15	N14	C12	120.3°	120.6°
C15	N14	C7	118.0°	118.8°
C4	O5	C6	120.3°	120.5°
N14	C12	C10	110.3°	109.3°
C12	N14	C7	120.9°	120.6°
N14	C12	H8	109.7°	109.5°
C12	C10	O11	119.8°	120.2°
C12	C10	N9	120.4°	119.7°
C10	C12	H8	109.2°	109.5°
N14	C7	C6	119.2°	119.3°
N14	C7	N8	121.0°	120.6°
O5	C6	C7	111.1°	110.9°
O5	C6	H5	109.1°	109.2°
O5	C6	H6	109.1°	109.2°
O11	C10	N9	119.8°	120.1°
C10	N9	N8	121.4°	120.9°
C10	N9	H7	119.3°	119.5°
C6	C7	N8	119.7°	120.1°
C7	C6	H5	109.1°	109.2°
C7	C6	H6	109.1°	109.2°
C7	N8	N9	122.2°	121.4°
N8	N9	H7	119.3°	119.6°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C6	H6	109.5°	109.2°
H9	C13	H10	109.5°	109.5°
H9	C13	H11	109.5°	109.4°
H10	C13	H11	109.4°	109.5°
H15	C20	H16	109.5°	113.1°
H19	C22	H20	109.4°	113.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C20	N21	H15	115.3°	114.3°
C19	C20	N21	H16	115.3°	114.3°
C20	C19	N18	C22	96.1°	96.8°
C20	C19	N18	H14	131.9°	131.6°
C20	C19	N18	C17	164.1°	108.2°
C20	C19	C22	H14	112.4°	114.4°
C19	C20	N21	C22	13.4°	24.7°
C20	C19	N18	H13	42.6°	71.8°
C19	C20	H15	H16	132.2°	131.7°
C19	C20	N21	H17	105.7°	137.6°
C20	C19	C22	H19	104.1°	138.1°
C20	C19	C22	H20	126.5°	90.6°
N21	C20	C19	N18	125.7°	90.7°
C20	N21	C22	H17	119.1°	112.9°
N21	C20	C19	H14	101.2°	138.1°
N21	C20	H15	H16	132.2°	131.7°
C20	N21	C22	H19	102.0°	139.0°
C20	N21	C22	H20	128.7°	89.7°
C19	N18	C17	H13	121.5°	180.0°
N18	C19	C22	H14	133.2°	131.2°
N18	C19	C22	N21	125.6°	90.6°
C19	N18	C17	C2	160.4°	180.0°
C19	N18	C17	C16	21.1°	0.3°
N18	C19	C20	H15	119.0°	155.0°
N18	C19	C20	H16	10.4°	23.6°
N18	C19	C22	H19	10.2°	23.7°
N18	C19	C22	H20	119.1°	155.0°
C17	N18	C19	C22	68.0°	155.0°
N18	C17	C2	C1	1.1°	0.3°
N18	C17	C2	C16	178.5°	179.7°
N18	C17	C2	C3	179.3°	179.9°
N18	C17	C16	C15	180.0°	179.7°
N18	C17	C16	H12	0.0°	0.0°
C17	N18	C19	H14	64.0°	23.4°
C19	C22	N21	H19	115.4°	114.2°
C19	C22	N21	H20	115.3°	114.4°
C22	C19	N18	H13	53.5°	25.0°
C22	C19	C20	H15	126.5°	90.5°
C22	C19	C20	H16	104.1°	138.0°
C19	C22	N21	H17	105.7°	137.6°
C19	C22	H19	H20	132.2°	131.7°
C1	C2	C17	C3	179.6°	179.7°
C1	C2	C17	C16	179.6°	180.0°
C1	C2	C3	C4	179.8°	179.8°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	119.9°
C1	C2	C3	H4	0.2°	0.2°
N21	C22	C19	H14	101.2°	138.2°
C22	N21	C20	H15	128.7°	89.6°
C22	N21	C20	H16	101.9°	139.0°
N21	C22	H19	H20	132.2°	131.7°
C2	C17	C16	C15	1.5°	0.6°
C17	C2	C3	C4	0.6°	0.1°
C17	C2	C1	H1	90.2°	90.3°
C17	C2	C1	H2	149.8°	29.7°
C17	C2	C1	H3	29.8°	149.7°
C17	C2	C3	H4	179.4°	179.9°
C2	C17	C16	H12	178.5°	179.7°
C2	C17	N18	H13	38.9°	0.0°
C16	C17	C2	C3	0.8°	0.4°
C17	C16	C15	H12	180.0°	179.7°
C17	C16	C15	C4	2.0°	0.7°
C17	C16	C15	N14	179.4°	179.0°
C16	C17	N18	H13	142.6°	179.7°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C15	1.2°	0.2°
C2	C3	C4	O5	178.9°	179.3°
C3	C2	C1	H1	90.2°	90.0°
C3	C2	C1	H2	29.8°	149.9°
C3	C2	C1	H3	149.8°	30.0°
C16	C15	C4	C3	1.9°	0.5°
C16	C15	C4	N14	177.5°	179.7°
C16	C15	C4	O5	179.5°	179.0°
C16	C15	N14	C12	26.5°	1.8°
C16	C15	N14	C7	163.9°	178.0°
C3	C4	C15	O5	177.7°	179.5°
C3	C4	C15	N14	179.3°	179.2°
C3	C4	O5	C6	150.1°	161.6°
C13	C12	N14	C15	71.0°	91.8°
C13	C12	N14	C10	120.3°	120.0°
C13	C12	N14	H8	119.5°	120.1°
C13	C12	C10	H8	119.3°	120.1°
C13	C12	N14	C7	98.2°	88.4°
C13	C12	C10	O11	74.5°	84.9°
C13	C12	C10	N9	103.6°	95.0°
C12	C13	H9	H10	120.0°	120.1°
C12	C13	H9	H11	120.0°	120.0°
C12	C13	H10	H11	120.0°	120.0°
C4	C15	N14	C12	151.0°	177.9°
C4	C15	N14	C7	18.6°	2.3°
C15	C4	O5	C6	27.5°	18.9°
C15	C4	C3	H4	178.8°	179.8°
C4	C15	C16	H12	178.0°	179.6°
N14	C15	C4	O5	3.0°	1.3°
C15	N14	C12	C7	169.3°	179.8°
C15	N14	C12	C10	168.7°	148.2°
C15	N14	C7	C6	5.2°	19.6°
C15	N14	C7	N8	177.6°	160.0°
C15	N14	C12	H8	48.5°	28.2°
N14	C15	C16	H12	0.6°	0.7°
C4	O5	C6	C7	38.1°	33.4°
O5	C4	C3	H4	1.1°	0.7°
C4	O5	C6	H5	82.1°	153.7°
C4	O5	C6	H6	158.4°	86.9°
N14	C12	C10	H8	120.5°	119.9°
N14	C12	C10	O11	165.2°	155.1°
N14	C12	C10	N9	16.7°	24.9°
C12	N14	C7	C6	164.3°	160.6°
C12	N14	C7	N8	12.9°	19.7°
N14	C12	C13	H9	180.0°	60.0°
N14	C12	C13	H10	60.0°	179.9°
N14	C12	C13	H11	60.0°	59.9°
C10	C12	N14	C7	22.0°	31.6°
C12	C10	O11	N9	178.1°	179.9°
C12	C10	N9	N8	2.1°	6.7°
C12	C10	N9	H7	177.9°	173.3°
C10	C12	C13	H9	59.2°	179.8°
C10	C12	C13	H10	60.8°	60.1°
C10	C12	C13	H11	179.2°	59.9°
N14	C7	C6	O5	21.3°	34.1°
N14	C7	C6	N8	177.2°	179.7°
N14	C7	N8	N9	4.4°	2.4°
N14	C7	C6	H5	98.9°	154.4°
N14	C7	C6	H6	141.6°	86.3°
C7	N14	C12	H8	142.2°	151.5°
O5	C6	C7	H5	120.2°	120.4°
O5	C6	C7	H6	120.2°	120.4°
O5	C6	C7	N8	155.9°	145.6°
O5	C6	H5	H6	119.3°	119.3°
O11	C10	N9	N8	179.8°	173.4°
O11	C10	N9	H7	0.2°	6.7°
O11	C10	C12	H8	44.7°	35.2°
C10	N9	N8	C7	9.9°	8.8°
C10	N9	N8	H7	180.0°	179.9°
N9	C10	C12	H8	137.2°	144.9°
C6	C7	N8	N9	178.4°	177.2°
C7	C6	H5	H6	119.3°	119.3°
N8	C7	C6	H5	83.9°	25.2°
N8	C7	C6	H6	35.7°	94.0°
C7	N8	N9	H7	170.1°	171.3°
H1	C1	H2	H3	120.0°	120.1°
H8	C12	C13	H9	60.1°	60.1°
H8	C12	C13	H10	179.9°	60.0°
H8	C12	C13	H11	59.9°	180.0°
H9	C13	H10	H11	120.0°	119.9°
H13	N18	C19	H14	174.5°	156.6°
H14	C19	C20	H15	14.1°	23.8°
H14	C19	C20	H16	143.5°	107.6°
H14	C19	C22	H19	143.4°	107.5°
H14	C19	C22	H20	14.1°	23.8°
H15	C20	N21	H17	9.6°	23.3°
H16	C20	N21	H17	138.9°	108.1°
H17	N21	C22	H19	138.9°	108.1°
H17	N21	C22	H20	9.6°	23.3°

Release date:	2014-07-02
Definition date:	2014-05-07
Last modified:	2014-06-27
Release status:	REL
Processing site:	RCSB
Derived from:	4Q9Z