2YW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O28	C20	doub	1.21Å	1.22Å
C27	C26	doub	1.38Å	1.39Å	Aromatic
C27	C19	sing	1.40Å	1.39Å	Aromatic
C26	C25	sing	1.38Å	1.39Å	Aromatic
C20	C19	sing	1.48Å	1.50Å
C20	O21	sing	1.35Å	1.45Å
C19	C23	doub	1.40Å	1.39Å	Aromatic
C25	C17	sing	1.51Å	1.51Å
C25	C24	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.53Å	1.53Å
C23	C24	sing	1.38Å	1.39Å	Aromatic
C22	O21	sing	1.45Å	1.43Å
C16	N15	sing	1.46Å	1.46Å
N15	C14	sing	1.38Å	1.36Å
C14	N13	doub	1.31Å	1.35Å	Aromatic
C14	N12	sing	1.36Å	1.33Å	Aromatic
N13	C4	sing	1.36Å	1.36Å	Aromatic
N12	C3	sing	1.39Å	1.36Å	Aromatic
C4	C3	doub	1.41Å	1.40Å	Aromatic
C4	C5	sing	1.39Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.40Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.42Å	1.39Å	Aromatic
C6	N8	sing	1.36Å	1.35Å
C1	C7	sing	1.47Å	1.48Å
N8	C9	doub	1.31Å	1.35Å
C7	O18	doub	1.22Å	1.25Å
C7	N11	sing	1.35Å	1.34Å
C9	N11	sing	1.37Å	1.35Å
C9	N10	sing	1.37Å	1.35Å
C2	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
N10	H3	sing	0.97Å	1.00Å
N10	H4	sing	0.97Å	1.00Å
N11	H5	sing	0.97Å	1.00Å
N12	H6	sing	0.97Å	1.00Å
N15	H8	sing	0.97Å	1.00Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C22	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.08Å	1.08Å
C24	H17	sing	1.08Å	1.08Å
C26	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O28	C20	C19	119.9°	120.0°
O28	C20	O21	119.6°	120.0°
C26	C27	C19	119.5°	119.8°
C27	C26	C25	120.5°	120.2°
C27	C26	H18	119.8°	119.9°
C26	C27	H19	120.3°	120.1°
C27	C19	C20	118.7°	120.2°
C27	C19	C23	120.4°	119.7°
C19	C27	H19	120.2°	120.1°
C26	C25	C17	118.5°	119.9°
C26	C25	C24	120.0°	120.3°
C25	C26	H18	119.7°	119.9°
C19	C20	O21	120.5°	120.0°
C20	C19	C23	120.9°	120.2°
C20	O21	C22	119.6°	116.9°
C19	C23	C24	119.9°	119.8°
C19	C23	H16	120.0°	120.0°
C17	C25	C24	121.5°	119.9°
C25	C17	C16	112.8°	109.5°
C25	C17	H11	108.6°	109.5°
C25	C17	H12	108.7°	109.5°
C25	C24	C23	119.7°	120.2°
C25	C24	H17	120.2°	119.9°
C17	C16	N15	114.4°	109.5°
C17	C16	H9	108.2°	109.5°
C17	C16	H10	108.2°	109.4°
C16	C17	H11	108.6°	109.5°
C16	C17	H12	108.6°	109.4°
C24	C23	H16	120.0°	120.1°
C23	C24	H17	120.2°	119.9°
O21	C22	H13	109.5°	109.5°
O21	C22	H14	109.5°	109.5°
O21	C22	H15	109.5°	109.4°
C16	N15	C14	120.5°	120.0°
C16	N15	H8	106.6°	120.0°
N15	C16	H9	108.2°	109.5°
N15	C16	H10	108.2°	109.5°
N15	C14	N13	124.2°	125.0°
N15	C14	N12	122.0°	125.0°
C14	N15	H8	106.6°	120.0°
N13	C14	N12	113.8°	110.0°
C14	N13	C4	105.2°	109.7°
C14	N12	C3	104.9°	107.2°
C14	N12	H6	127.5°	126.4°
N13	C4	C3	107.7°	107.0°
N13	C4	C5	131.9°	132.8°
N12	C3	C4	108.4°	106.1°
N12	C3	C2	131.5°	133.5°
C3	N12	H6	127.5°	126.4°
C3	C4	C5	120.4°	120.2°
C4	C3	C2	120.1°	120.5°
C4	C5	C6	119.4°	119.6°
C4	C5	H2	120.3°	120.2°
C3	C2	C1	119.2°	119.6°
C3	C2	H1	120.4°	120.2°
C5	C6	C1	119.6°	119.7°
C5	C6	N8	121.3°	121.2°
C6	C5	H2	120.3°	120.1°
C2	C1	C6	121.2°	120.4°
C2	C1	C7	120.3°	121.5°
C1	C2	H1	120.4°	120.2°
C1	C6	N8	119.2°	119.1°
C6	C1	C7	118.5°	118.1°
C6	N8	C9	121.4°	121.5°
C1	C7	O18	121.7°	121.2°
C1	C7	N11	117.8°	117.7°
N8	C9	N11	122.3°	123.1°
N8	C9	N10	119.1°	118.4°
O18	C7	N11	120.5°	121.2°
C7	N11	C9	120.9°	120.6°
C7	N11	H5	119.6°	119.7°
N11	C9	N10	118.6°	118.5°
C9	N11	H5	119.5°	119.6°
C9	N10	H3	120.0°	120.0°
C9	N10	H4	120.0°	120.0°
H3	N10	H4	120.0°	120.0°
H9	C16	H10	109.5°	109.5°
H11	C17	H12	109.5°	109.5°
H13	C22	H14	109.4°	109.5°
H13	C22	H15	109.5°	109.5°
H14	C22	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O28	C20	C19	C27	20.7°	179.7°
O28	C20	C19	O21	179.5°	180.0°
O28	C20	C19	C23	159.7°	0.0°
O28	C20	O21	C22	8.7°	0.0°
C26	C27	C19	H19	180.0°	179.6°
C27	C26	C25	H18	180.0°	179.8°
C26	C27	C19	C20	180.0°	179.8°
C26	C27	C19	C23	0.4°	0.5°
C27	C26	C25	C17	179.9°	179.7°
C27	C26	C25	C24	0.9°	0.3°
C19	C27	C26	C25	0.7°	0.5°
C27	C19	C20	C23	179.6°	179.7°
C27	C19	C20	O21	158.8°	0.3°
C27	C19	C23	C24	0.3°	0.2°
C27	C19	C23	H16	179.8°	179.8°
C19	C27	C26	H18	179.3°	179.7°
C26	C25	C17	C24	179.0°	180.0°
C26	C25	C17	C16	131.6°	90.0°
C26	C25	C24	C23	0.8°	0.0°
C26	C25	C17	H11	107.9°	150.0°
C26	C25	C17	H12	11.1°	30.0°
C26	C25	C24	H17	179.2°	179.9°
C25	C26	C27	H19	179.3°	180.0°
C20	C19	C23	C24	179.8°	180.0°
C19	C20	O21	C22	171.8°	180.0°
C20	C19	C23	H16	0.2°	0.0°
C20	C19	C27	H19	0.1°	0.2°
O21	C20	C19	C23	20.8°	180.0°
C20	O21	C22	H13	180.0°	60.0°
C20	O21	C22	H14	60.0°	60.0°
C20	O21	C22	H15	60.0°	180.0°
C19	C23	C24	C25	0.5°	0.0°
C19	C23	C24	H16	180.0°	180.0°
C19	C23	C24	H17	179.5°	180.0°
C23	C19	C27	H19	179.6°	180.0°
C25	C17	C16	H11	120.5°	120.0°
C25	C17	C16	H12	120.5°	120.0°
C17	C25	C24	C23	179.7°	180.0°
C25	C17	C16	N15	67.2°	180.0°
C25	C17	C16	H9	53.5°	60.0°
C25	C17	C16	H10	172.0°	60.0°
C25	C17	H11	H12	118.5°	120.0°
C17	C25	C24	H17	0.3°	0.0°
C17	C25	C26	H18	0.1°	0.1°
C24	C25	C17	C16	49.5°	90.0°
C25	C24	C23	H17	180.0°	179.9°
C24	C25	C17	H11	71.0°	30.0°
C24	C25	C17	H12	170.0°	150.0°
C25	C24	C23	H16	179.6°	180.0°
C24	C25	C26	H18	179.1°	179.9°
C17	C16	N15	H9	120.7°	120.0°
C17	C16	N15	H10	120.7°	119.9°
C17	C16	N15	C14	178.2°	180.0°
C17	C16	N15	H8	60.3°	0.0°
C17	C16	H9	H10	117.8°	120.0°
C16	C17	H11	H12	118.5°	120.0°
O21	C22	H13	H14	120.0°	120.0°
O21	C22	H13	H15	120.0°	120.0°
O21	C22	H14	H15	120.0°	120.0°
C16	N15	C14	H8	121.5°	180.0°
C16	N15	C14	N13	16.8°	180.0°
C16	N15	C14	N12	162.5°	0.0°
N15	C16	H9	H10	117.8°	120.0°
N15	C16	C17	H11	172.3°	60.0°
N15	C16	C17	H12	53.3°	60.0°
N15	C14	N13	N12	179.3°	180.0°
N15	C14	N13	C4	179.9°	180.0°
N15	C14	N12	C3	179.6°	180.0°
N15	C14	N12	H6	0.4°	0.0°
C14	N15	C16	H9	57.4°	60.0°
C14	N15	C16	H10	61.1°	60.1°
N13	C14	N12	C3	0.2°	0.0°
C14	N13	C4	C3	1.0°	0.1°
C14	N13	C4	C5	179.7°	180.0°
N13	C14	N12	H6	179.8°	179.9°
N13	C14	N15	H8	104.7°	0.0°
N12	C14	N13	C4	0.8°	0.0°
C14	N12	C3	H6	180.0°	179.9°
C14	N12	C3	C4	0.5°	0.1°
C14	N12	C3	C2	179.4°	180.0°
N12	C14	N15	H8	76.0°	180.0°
N13	C4	C3	N12	1.0°	0.1°
N13	C4	C3	C5	178.9°	179.9°
N13	C4	C3	C2	179.0°	180.0°
N13	C4	C5	C6	178.7°	179.8°
N13	C4	C5	H2	1.3°	0.1°
N12	C3	C4	C2	179.9°	179.9°
N12	C3	C4	C5	179.8°	180.0°
N12	C3	C2	C1	179.6°	180.0°
N12	C3	C2	H1	0.4°	0.1°
C3	C4	C5	C6	0.2°	0.3°
C4	C3	C2	C1	0.3°	0.1°
C4	C3	C2	H1	179.7°	180.0°
C3	C4	C5	H2	179.8°	180.0°
C4	C3	N12	H6	179.5°	180.0°
C5	C4	C3	C2	0.1°	0.1°
C4	C5	C6	H2	180.0°	179.7°
C4	C5	C6	C1	0.4°	0.6°
C4	C5	C6	N8	179.9°	180.0°
C3	C2	C1	H1	180.0°	179.9°
C3	C2	C1	C6	0.6°	0.3°
C3	C2	C1	C7	178.6°	180.0°
C2	C3	N12	H6	0.6°	0.1°
C5	C6	C1	C2	0.6°	0.6°
C5	C6	C1	N8	179.6°	179.5°
C5	C6	C1	C7	178.6°	179.8°
C5	C6	N8	C9	176.9°	180.0°
C2	C1	C6	C7	179.2°	179.7°
C2	C1	C6	N8	179.7°	179.9°
C2	C1	C7	O18	0.5°	0.0°
C2	C1	C7	N11	178.3°	179.9°
C1	C6	N8	C9	2.8°	0.5°
C6	C1	C7	O18	179.8°	179.6°
C6	C1	C7	N11	0.9°	0.3°
C6	C1	C2	H1	179.5°	179.7°
C1	C6	C5	H2	179.6°	179.7°
N8	C6	C1	C7	1.0°	0.3°
C6	N8	C9	N11	2.5°	0.8°
C6	N8	C9	N10	179.0°	180.0°
N8	C6	C5	H2	0.1°	0.2°
C1	C7	O18	N11	178.8°	179.9°
C1	C7	N11	C9	1.2°	0.5°
C7	C1	C2	H1	1.3°	0.1°
C1	C7	N11	H5	178.8°	180.0°
N8	C9	N11	C7	0.4°	0.8°
N8	C9	N11	N10	178.5°	179.3°
N8	C9	N10	H3	0.0°	0.0°
N8	C9	N10	H4	180.0°	180.0°
N8	C9	N11	H5	179.5°	179.8°
O18	C7	N11	C9	179.9°	179.4°
O18	C7	N11	H5	0.1°	0.0°
C7	N11	C9	H5	180.0°	179.5°
C7	N11	C9	N10	178.9°	179.9°
N11	C9	N10	H3	178.5°	179.3°
N11	C9	N10	H4	1.5°	0.7°
C9	N10	H3	H4	180.0°	180.0°
N10	C9	N11	H5	1.1°	0.5°
H8	N15	C16	H9	178.9°	120.0°
H8	N15	C16	H10	60.4°	120.0°
H9	C16	C17	H11	67.0°	180.0°
H9	C16	C17	H12	174.0°	59.9°
H10	C16	C17	H11	51.5°	60.0°
H10	C16	C17	H12	67.4°	180.0°
H13	C22	H14	H15	120.0°	120.0°
H16	C23	C24	H17	0.4°	0.1°
H18	C26	C27	H19	0.7°	0.2°

Release date:	2015-05-20
Definition date:	2014-04-29
Last modified:	2015-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	4Q8U