2WB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O28	N27	sing	1.32Å	1.22Å
N27	O29	doub	1.32Å	1.22Å
N27	C26	sing	1.48Å	1.37Å
C30	C26	doub	1.39Å	1.40Å	Aromatic
C30	C32	sing	1.39Å	1.39Å	Aromatic
C26	C24	sing	1.36Å	1.40Å	Aromatic
C32	C34	doub	1.36Å	1.40Å	Aromatic
C24	C23	doub	1.41Å	1.39Å	Aromatic
C34	C23	sing	1.41Å	1.40Å	Aromatic
C23	C22	sing	1.41Å	1.51Å
C22	O1	sing	1.35Å	1.33Å	Aromatic
C22	C21	doub	1.47Å	1.34Å	Aromatic
O1	C2	sing	1.35Å	1.33Å	Aromatic
C21	C20	sing	1.35Å	1.46Å	Aromatic
C2	C20	doub	1.47Å	1.33Å	Aromatic
C2	C3	sing	1.41Å	1.50Å
C9	C3	doub	1.41Å	1.39Å	Aromatic
C9	C8	sing	1.37Å	1.39Å	Aromatic
C3	C4	sing	1.41Å	1.40Å	Aromatic
C8	C7	doub	1.39Å	1.39Å	Aromatic
O17	C14	doub	1.21Å	1.23Å
C4	C5	doub	1.36Å	1.39Å	Aromatic
C4	C13	sing	1.51Å	1.54Å
C7	C5	sing	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.51Å	1.52Å
C14	O15	sing	1.34Å	1.33Å
C5	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
O15	H7	sing	0.97Å	0.95Å
C20	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
C24	H10	sing	1.08Å	1.08Å
C30	H11	sing	1.08Å	1.08Å
C32	H12	sing	1.08Å	1.08Å
C34	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O28	N27	O29	122.2°	120.0°
O28	N27	C26	119.0°	120.0°
O29	N27	C26	118.8°	120.0°
N27	C26	C30	120.0°	119.8°
N27	C26	C24	120.1°	119.9°
C26	C30	C32	119.9°	120.6°
C30	C26	C24	119.9°	120.3°
C26	C30	H11	120.0°	119.8°
C30	C32	C34	119.4°	120.3°
C32	C30	H11	120.1°	119.7°
C30	C32	H12	120.3°	119.9°
C26	C24	C23	120.7°	119.7°
C26	C24	H10	119.6°	120.1°
C32	C34	C23	121.3°	119.7°
C34	C32	H12	120.3°	119.8°
C32	C34	H13	119.4°	120.1°
C24	C23	C34	118.8°	119.4°
C24	C23	C22	120.1°	120.3°
C23	C24	H10	119.7°	120.1°
C34	C23	C22	121.0°	120.3°
C23	C34	H13	119.4°	120.1°
C23	C22	O1	116.6°	125.8°
C23	C22	C21	129.7°	125.8°
O1	C22	C21	113.5°	108.4°
C22	O1	C2	105.0°	109.7°
C22	C21	C20	103.6°	106.8°
C22	C21	H9	128.2°	126.6°
O1	C2	C20	113.5°	108.4°
O1	C2	C3	117.3°	125.8°
C21	C20	C2	104.3°	106.7°
C21	C20	H8	127.8°	126.6°
C20	C21	H9	128.2°	126.6°
C20	C2	C3	129.1°	125.7°
C2	C20	H8	127.9°	126.7°
C2	C3	C9	116.3°	120.3°
C2	C3	C4	123.5°	120.3°
C3	C9	C8	121.3°	119.7°
C9	C3	C4	120.2°	119.4°
C3	C9	H4	119.3°	120.2°
C9	C8	C7	118.8°	120.3°
C9	C8	H3	120.7°	119.8°
C8	C9	H4	119.3°	120.1°
C3	C4	C5	118.0°	119.8°
C3	C4	C13	122.6°	120.1°
C8	C7	C5	120.0°	120.6°
C8	C7	H2	120.0°	119.8°
C7	C8	H3	120.6°	119.9°
O17	C14	C13	121.1°	120.0°
O17	C14	O15	122.3°	120.1°
C5	C4	C13	119.4°	120.1°
C4	C5	C7	121.7°	120.2°
C4	C5	H1	119.2°	119.9°
C4	C13	C14	109.0°	109.5°
C4	C13	H5	109.6°	109.4°
C4	C13	H6	109.6°	109.5°
C7	C5	H1	119.1°	119.9°
C5	C7	H2	120.0°	119.7°
C13	C14	O15	116.6°	120.0°
C14	C13	H5	109.6°	109.5°
C14	C13	H6	109.6°	109.5°
C14	O15	H7	109.5°	116.9°
H5	C13	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O28	N27	O29	C26	179.0°	179.9°
O28	N27	C26	C30	12.3°	0.1°
O28	N27	C26	C24	166.7°	180.0°
O29	N27	C26	C30	168.7°	180.0°
O29	N27	C26	C24	12.3°	0.1°
N27	C26	C30	C24	179.0°	179.9°
N27	C26	C30	C32	179.4°	180.0°
N27	C26	C24	C23	179.6°	180.0°
N27	C26	C24	H10	0.4°	0.0°
N27	C26	C30	H11	0.6°	0.1°
C26	C30	C32	H11	180.0°	179.9°
C26	C30	C32	C34	0.2°	0.3°
C30	C26	C24	C23	0.6°	0.0°
C30	C26	C24	H10	179.4°	180.0°
C26	C30	C32	H12	179.8°	180.0°
C32	C30	C26	C24	0.3°	0.1°
C30	C32	C34	H12	180.0°	179.7°
C30	C32	C34	C23	0.2°	0.5°
C30	C32	C34	H13	179.7°	180.0°
C26	C24	C23	H10	180.0°	180.0°
C26	C24	C23	C34	0.6°	0.2°
C26	C24	C23	C22	177.4°	180.0°
C24	C26	C30	H11	179.7°	180.0°
C32	C34	C23	C24	0.5°	0.5°
C32	C34	C23	H13	180.0°	179.5°
C32	C34	C23	C22	177.2°	179.7°
C34	C32	C30	H11	179.8°	179.7°
C24	C23	C34	C22	176.7°	179.8°
C24	C23	C22	O1	174.9°	0.0°
C24	C23	C22	C21	9.3°	180.0°
C24	C23	C34	H13	179.5°	180.0°
C34	C23	C22	O1	8.4°	179.8°
C34	C23	C22	C21	167.4°	0.2°
C34	C23	C24	H10	179.4°	179.8°
C23	C34	C32	H12	179.8°	179.8°
C23	C22	O1	C21	176.5°	180.0°
C23	C22	O1	C2	176.5°	180.0°
C23	C22	C21	C20	176.6°	180.0°
C23	C22	C21	H9	3.3°	0.0°
C22	C23	C24	H10	2.6°	0.0°
C22	C23	C34	H13	2.8°	0.2°
O1	C22	C21	C20	0.7°	0.0°
C22	O1	C2	C20	0.8°	0.0°
C22	O1	C2	C3	177.9°	180.0°
O1	C22	C21	H9	179.2°	180.0°
C21	C22	O1	C2	0.0°	0.0°
C22	C21	C20	H9	180.0°	180.0°
C22	C21	C20	C2	1.2°	0.0°
C22	C21	C20	H8	178.8°	180.0°
O1	C2	C20	C21	1.2°	0.0°
O1	C2	C20	C3	176.7°	180.0°
O1	C2	C3	C9	51.2°	129.7°
O1	C2	C3	C4	128.9°	50.0°
O1	C2	C20	H8	178.7°	180.0°
C21	C20	C2	H8	180.0°	180.0°
C21	C20	C2	C3	178.0°	180.0°
C20	C2	C3	C9	125.4°	50.3°
C20	C2	C3	C4	54.5°	130.0°
C2	C20	C21	H9	178.8°	180.0°
C2	C3	C9	C4	180.0°	179.7°
C2	C3	C9	C8	179.2°	179.8°
C2	C3	C4	C5	179.7°	180.0°
C2	C3	C4	C13	3.4°	0.1°
C2	C3	C9	H4	0.8°	0.0°
C3	C2	C20	H8	2.0°	0.0°
C3	C9	C8	H4	180.0°	179.7°
C3	C9	C8	C7	0.7°	0.5°
C9	C3	C4	C5	0.2°	0.3°
C9	C3	C4	C13	176.7°	179.7°
C3	C9	C8	H3	179.3°	179.7°
C8	C9	C3	C4	0.7°	0.5°
C9	C8	C7	H3	180.0°	179.8°
C9	C8	C7	C5	0.1°	0.3°
C9	C8	C7	H2	179.9°	179.7°
C3	C4	C5	C13	177.0°	180.0°
C3	C4	C5	C7	0.4°	0.0°
C3	C4	C13	C14	77.8°	85.0°
C3	C4	C5	H1	179.7°	180.0°
C4	C3	C9	H4	179.3°	179.7°
C3	C4	C13	H5	162.3°	155.0°
C3	C4	C13	H6	42.2°	35.1°
C8	C7	C5	C4	0.4°	0.0°
C8	C7	C5	H2	180.0°	180.0°
C8	C7	C5	H1	179.6°	180.0°
C7	C8	C9	H4	179.3°	179.7°
O17	C14	C13	C4	49.3°	0.0°
O17	C14	C13	O15	180.0°	179.9°
O17	C14	C13	H5	169.3°	120.0°
O17	C14	C13	H6	70.6°	120.1°
O17	C14	O15	H7	0.0°	0.1°
C4	C5	C7	H1	180.0°	180.0°
C5	C4	C13	C14	99.1°	95.0°
C4	C5	C7	H2	179.6°	180.0°
C5	C4	C13	H5	20.8°	25.0°
C5	C4	C13	H6	141.0°	144.9°
C13	C4	C5	C7	177.3°	180.0°
C4	C13	C14	H5	119.9°	120.0°
C4	C13	C14	H6	120.0°	120.0°
C4	C13	C14	O15	130.7°	179.9°
C13	C4	C5	H1	2.7°	0.0°
C4	C13	H5	H6	120.2°	119.9°
C5	C7	C8	H3	179.9°	179.9°
C14	C13	H5	H6	120.2°	120.0°
C13	C14	O15	H7	180.0°	180.0°
O15	C14	C13	H5	10.7°	59.9°
O15	C14	C13	H6	109.4°	60.0°
H1	C5	C7	H2	0.4°	0.0°
H2	C7	C8	H3	0.1°	0.0°
H3	C8	C9	H4	0.6°	0.1°
H8	C20	C21	H9	1.2°	0.0°
H11	C30	C32	H12	0.2°	0.0°
H12	C32	C34	H13	0.3°	0.3°

Release date:	2015-04-08
Definition date:	2014-03-10
Last modified:	2015-04-03
Release status:	REL
Processing site:	RCSB
Derived from:	4PRT