PLB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL20	C16	sing	1.74Å	1.77Å
C16	C15	doub	1.38Å	1.37Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.37Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C14	CL19	sing	1.74Å	1.79Å
C14	C13	doub	1.40Å	1.40Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	C13	sing	1.40Å	1.38Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C13	C11	sing	1.48Å	1.49Å
C11	O12	doub	1.22Å	1.23Å
C11	N10	sing	1.35Å	1.35Å
N10	C2	sing	1.39Å	1.37Å
N10	H10	sing	0.97Å	1.02Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.40Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.36Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.39Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	O21	sing	1.36Å	1.37Å
C6	C1	sing	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C1	C7	sing	1.47Å	1.51Å
C7	O9	doub	1.22Å	1.25Å
C7	O8	sing	1.35Å	1.24Å
O8	HO8	sing	0.97Å	0.95Å
O21	C22	sing	1.35Å	1.39Å
C22	N27	sing	1.32Å	1.48Å	Aromatic
C22	N23	doub	1.32Å	1.47Å	Aromatic
N27	C26	doub	1.32Å	1.33Å	Aromatic
C26	C25	sing	1.39Å	1.39Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C25	C24	doub	1.39Å	1.39Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C24	N23	sing	1.32Å	1.34Å	Aromatic
C24	H24	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL20	C16	C15	111.8°	119.9°
CL20	C16	C17	126.0°	119.9°
C15	C16	C17	122.2°	120.3°
C16	C15	C14	116.7°	120.1°
C16	C15	H15	121.3°	120.0°
C16	C17	C18	121.4°	120.2°
C16	C17	H17	119.6°	119.9°
C14	C15	H15	122.0°	119.9°
C15	C14	CL19	115.1°	120.1°
C15	C14	C13	122.1°	119.8°
CL19	C14	C13	122.8°	120.1°
C14	C13	C18	121.1°	119.7°
C14	C13	C11	118.0°	120.2°
C18	C17	H17	119.0°	119.9°
C17	C18	C13	116.6°	119.9°
C17	C18	H18	121.8°	120.1°
C13	C18	H18	121.7°	120.0°
C18	C13	C11	120.9°	120.2°
C13	C11	O12	114.6°	120.0°
C13	C11	N10	115.9°	120.0°
O12	C11	N10	129.2°	120.0°
C11	N10	C2	126.4°	120.0°
C11	N10	H10	116.1°	120.0°
C2	N10	H10	117.5°	120.0°
N10	C2	C3	120.0°	120.2°
N10	C2	C1	119.5°	120.1°
C3	C2	C1	120.4°	119.7°
C2	C3	C4	121.9°	120.2°
C2	C3	H3	120.1°	119.9°
C2	C1	C6	118.1°	119.6°
C2	C1	C7	122.2°	120.2°
C4	C3	H3	117.9°	119.9°
C3	C4	C5	118.4°	120.3°
C3	C4	H4	120.1°	119.9°
C5	C4	H4	121.5°	119.8°
C4	C5	C6	120.4°	120.2°
C4	C5	O21	116.7°	119.9°
C6	C5	O21	122.9°	119.9°
C5	C6	C1	120.8°	119.9°
C5	C6	H6	120.0°	120.1°
C5	O21	C22	119.1°	106.8°
C1	C6	H6	119.2°	120.0°
C6	C1	C7	119.7°	120.2°
C1	C7	O9	124.4°	120.0°
C1	C7	O8	117.5°	120.0°
O9	C7	O8	118.0°	120.0°
C7	O8	HO8	117.5°	120.0°
O21	C22	N27	109.7°	119.2°
O21	C22	N23	111.3°	119.2°
N27	C22	N23	115.5°	121.6°
C22	N27	C26	121.2°	120.7°
C22	N23	C24	121.1°	120.7°
N27	C26	C25	119.4°	119.2°
N27	C26	H26	117.9°	120.4°
C25	C26	H26	122.7°	120.4°
C26	C25	C24	123.4°	118.5°
C26	C25	H25	118.6°	120.8°
C24	C25	H25	118.1°	120.7°
C25	C24	N23	119.3°	119.2°
C25	C24	H24	122.2°	120.4°
N23	C24	H24	118.5°	120.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL20	C16	C15	C17	178.1°	179.9°
CL20	C16	C15	C14	179.1°	179.7°
CL20	C16	C15	H15	0.9°	0.1°
CL20	C16	C17	C18	178.3°	180.0°
CL20	C16	C17	H17	1.7°	0.1°
C16	C15	C14	H15	180.0°	179.8°
C16	C15	C14	CL19	179.6°	180.0°
C16	C15	C14	C13	0.9°	0.6°
C15	C16	C17	C18	0.5°	0.1°
C15	C16	C17	H17	179.5°	180.0°
C17	C16	C15	C14	1.0°	0.2°
C17	C16	C15	H15	179.0°	180.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C13	0.1°	0.0°
C16	C17	C18	H18	179.9°	179.9°
C15	C14	CL19	C13	179.4°	179.4°
C15	C14	C13	C18	0.4°	0.6°
C15	C14	C13	C11	179.2°	179.8°
H15	C15	C14	CL19	0.4°	0.2°
H15	C15	C14	C13	179.1°	179.6°
CL19	C14	C13	C18	179.8°	179.9°
CL19	C14	C13	C11	0.2°	0.3°
C14	C13	C18	C17	0.2°	0.4°
C14	C13	C18	C11	179.5°	179.6°
C14	C13	C18	H18	179.8°	179.7°
C14	C13	C11	O12	120.6°	0.3°
C14	C13	C11	N10	65.0°	179.6°
C17	C18	C13	H18	180.0°	179.9°
C17	C18	C13	C11	179.7°	180.0°
H17	C17	C18	C13	179.8°	179.9°
H17	C17	C18	H18	0.1°	0.0°
C18	C13	C11	O12	59.0°	179.9°
C18	C13	C11	N10	115.4°	0.0°
H18	C18	C13	C11	0.3°	0.2°
C13	C11	O12	N10	173.5°	180.0°
C13	C11	N10	C2	154.7°	174.2°
C13	C11	N10	H10	25.3°	5.9°
O12	C11	N10	C2	18.8°	5.8°
O12	C11	N10	H10	161.3°	174.1°
C11	N10	C2	H10	179.9°	180.0°
C11	N10	C2	C3	7.8°	25.4°
C11	N10	C2	C1	173.8°	155.1°
N10	C2	C3	C1	178.4°	179.5°
N10	C2	C3	C4	179.8°	180.0°
N10	C2	C3	H3	0.2°	0.3°
N10	C2	C1	C6	178.7°	180.0°
N10	C2	C1	C7	1.3°	0.2°
H10	N10	C2	C3	172.3°	154.6°
H10	N10	C2	C1	6.1°	24.9°
C2	C3	C4	H3	180.0°	179.7°
C2	C3	C4	C5	1.5°	0.3°
C2	C3	C4	H4	178.5°	179.7°
C3	C2	C1	C6	0.3°	0.5°
C3	C2	C1	C7	179.7°	179.7°
C1	C2	C3	C4	1.5°	0.5°
C1	C2	C3	H3	178.6°	179.8°
C2	C1	C6	C5	0.7°	0.2°
C2	C1	C6	C7	180.0°	179.8°
C2	C1	C6	H6	179.3°	179.7°
C2	C1	C7	O9	0.9°	5.2°
C2	C1	C7	O8	179.9°	174.8°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.4°	0.0°
C3	C4	C5	O21	179.3°	180.0°
H3	C3	C4	C5	178.6°	180.0°
H3	C3	C4	H4	1.4°	0.0°
C4	C5	C6	O21	178.9°	180.0°
C4	C5	C6	C1	0.7°	0.0°
C4	C5	C6	H6	179.3°	180.0°
C4	C5	O21	C22	132.0°	94.9°
H4	C4	C5	C6	179.6°	180.0°
H4	C4	C5	O21	0.6°	0.1°
C5	C6	C1	H6	180.0°	179.9°
C5	C6	C1	C7	179.3°	180.0°
C6	C5	O21	C22	49.0°	85.1°
O21	C5	C6	C1	178.2°	179.9°
O21	C5	C6	H6	1.8°	0.0°
C5	O21	C22	N27	55.4°	4.7°
C5	O21	C22	N23	175.5°	174.9°
C6	C1	C7	O9	179.1°	175.0°
C6	C1	C7	O8	0.1°	5.0°
H6	C6	C1	C7	0.7°	0.1°
C1	C7	O9	O8	179.0°	180.0°
C1	C7	O8	HO8	180.0°	180.0°
O9	C7	O8	HO8	1.0°	0.0°
O21	C22	N27	N23	126.8°	179.6°
O21	C22	N27	C26	131.9°	179.8°
O21	C22	N23	C24	131.8°	180.0°
C22	N27	C26	C25	1.9°	0.5°
C22	N27	C26	H26	178.1°	179.7°
N27	C22	N23	C24	5.8°	0.3°
N23	C22	N27	C26	5.1°	0.6°
C22	N23	C24	C25	3.4°	0.0°
C22	N23	C24	H24	176.6°	179.9°
N27	C26	C25	H26	180.0°	179.8°
N27	C26	C25	C24	1.0°	0.2°
N27	C26	C25	H25	179.1°	179.7°
C26	C25	C24	H25	180.0°	179.9°
C26	C25	C24	N23	0.2°	0.1°
C26	C25	C24	H24	179.8°	180.0°
H26	C26	C25	C24	179.0°	180.0°
H26	C26	C25	H25	1.0°	0.1°
C25	C24	N23	H24	180.0°	179.9°
H25	C25	C24	N23	179.8°	179.9°
H25	C25	C24	H24	0.2°	0.1°

Definition date:	2004-08-24
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1WM0