PKG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N	doub	1.29Å	1.33Å	Aromatic
N2	N1	sing	1.40Å	1.34Å	Aromatic
C27	C28	sing	1.53Å	1.51Å
C27	N1	sing	1.47Å	1.45Å
N	CA	sing	1.35Å	1.37Å	Aromatic
N1	C2	sing	1.37Å	1.36Å	Aromatic
CA	C2	doub	1.41Å	1.37Å	Aromatic
CA	CB	sing	1.40Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.37Å	Aromatic
C24	C25	doub	1.38Å	1.38Å	Aromatic
C24	C23	sing	1.38Å	1.37Å	Aromatic
C25	C26	sing	1.38Å	1.37Å	Aromatic
C23	C22	doub	1.38Å	1.37Å	Aromatic
C7	CB	sing	1.51Å	1.49Å
CB	CG	doub	1.36Å	1.38Å	Aromatic
C3	CD2	doub	1.37Å	1.37Å	Aromatic
C26	C21	doub	1.40Å	1.37Å	Aromatic
C22	C21	sing	1.40Å	1.37Å	Aromatic
C21	C20	sing	1.48Å	1.46Å
CG	CD2	sing	1.39Å	1.38Å	Aromatic
CG	CD1	sing	1.51Å	1.49Å
O2	CZ	doub	1.21Å	1.26Å
O	C20	doub	1.22Å	1.22Å
C20	N4	sing	1.35Å	1.37Å
CD1	C11	sing	1.51Å	1.49Å
CD1	CE1	sing	1.53Å	1.51Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.38Å	1.38Å	Aromatic
N4	C19	sing	1.47Å	1.44Å
N4	C18	sing	1.47Å	1.44Å
C12	C13	sing	1.39Å	1.37Å	Aromatic
CZ	CE1	sing	1.51Å	1.52Å
CZ	OH	sing	1.34Å	1.26Å
C16	C15	doub	1.38Å	1.37Å	Aromatic
C13	C19	sing	1.51Å	1.48Å
C13	C14	doub	1.38Å	1.37Å	Aromatic
C18	C17	sing	1.53Å	1.51Å
C15	C14	sing	1.39Å	1.37Å	Aromatic
C14	C17	sing	1.51Å	1.49Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
CD1	H4	sing	1.09Å	1.10Å
CD2	H5	sing	1.08Å	1.08Å
CE1	H6	sing	1.09Å	1.10Å
CE1	H7	sing	1.09Å	1.10Å
OH	H8	sing	0.97Å	0.95Å
C12	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
C19	H16	sing	1.09Å	1.10Å
C19	H17	sing	1.09Å	1.10Å
C22	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C24	H20	sing	1.08Å	1.08Å
C25	H21	sing	1.08Å	1.08Å
C26	H22	sing	1.08Å	1.08Å
C27	H23	sing	1.09Å	1.10Å
C27	H24	sing	1.09Å	1.10Å
C28	H25	sing	1.09Å	1.10Å
C28	H26	sing	1.09Å	1.10Å
C28	H27	sing	1.09Å	1.10Å
C3	H28	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	N2	N1	106.7°	109.4°
N2	N	CA	108.1°	110.3°
N2	N1	C27	120.7°	126.8°
N2	N1	C2	112.6°	106.5°
C28	C27	N1	109.5°	109.5°
C28	C27	H23	109.4°	109.5°
C28	C27	H24	109.5°	109.5°
C27	C28	H25	109.5°	109.5°
C27	C28	H26	109.5°	109.5°
C27	C28	H27	109.4°	109.5°
C27	N1	C2	126.7°	126.7°
N1	C27	H23	109.5°	109.5°
N1	C27	H24	109.5°	109.4°
N	CA	C2	109.8°	107.7°
N	CA	CB	129.9°	133.1°
N1	C2	CA	102.8°	106.1°
N1	C2	C3	132.4°	134.1°
C2	CA	CB	120.3°	119.2°
CA	C2	C3	124.9°	119.8°
CA	CB	C7	120.7°	120.1°
CA	CB	CG	116.6°	119.8°
C2	C3	CD2	113.4°	119.8°
C2	C3	H28	123.3°	120.1°
C25	C24	C23	120.5°	120.3°
C24	C25	C26	120.1°	120.2°
C25	C24	H20	119.8°	119.9°
C24	C25	H21	119.9°	119.9°
C24	C23	C22	120.0°	120.1°
C24	C23	H19	120.0°	119.9°
C23	C24	H20	119.7°	119.8°
C25	C26	C21	118.7°	119.8°
C26	C25	H21	120.0°	119.9°
C25	C26	H22	120.7°	120.1°
C23	C22	C21	118.9°	119.9°
C23	C22	H18	120.6°	120.1°
C22	C23	H19	120.0°	119.9°
C7	CB	CG	122.6°	120.1°
CB	C7	H1	109.5°	109.5°
CB	C7	H2	109.5°	109.5°
CB	C7	H3	109.5°	109.5°
CB	CG	CD2	120.7°	120.7°
CB	CG	CD1	121.1°	119.7°
C3	CD2	CG	124.2°	120.6°
C3	CD2	H5	117.9°	119.7°
CD2	C3	H28	123.3°	120.1°
C26	C21	C22	121.9°	119.7°
C26	C21	C20	120.9°	120.1°
C21	C26	H22	120.7°	120.1°
C22	C21	C20	117.3°	120.2°
C21	C22	H18	120.6°	120.0°
C21	C20	O	116.4°	120.0°
C21	C20	N4	114.9°	120.1°
CD2	CG	CD1	118.2°	119.6°
CG	CD2	H5	117.9°	119.8°
CG	CD1	C11	111.2°	109.4°
CG	CD1	CE1	112.3°	109.5°
CG	CD1	H4	107.6°	109.4°
O2	CZ	CE1	115.5°	120.1°
O2	CZ	OH	130.0°	120.0°
O	C20	N4	124.3°	120.0°
C20	N4	C19	121.1°	121.3°
C20	N4	C18	116.4°	121.4°
C11	CD1	CE1	110.6°	109.5°
CD1	C11	C12	120.4°	120.1°
CD1	C11	C16	119.7°	120.1°
C11	CD1	H4	107.6°	109.5°
CD1	CE1	CZ	107.7°	109.4°
CE1	CD1	H4	107.3°	109.5°
CD1	CE1	H6	109.9°	109.5°
CD1	CE1	H7	109.9°	109.5°
C12	C11	C16	119.9°	119.8°
C11	C12	C13	119.4°	120.5°
C11	C12	H9	120.3°	119.8°
C11	C16	C15	120.5°	119.8°
C11	C16	H11	119.7°	120.1°
C19	N4	C18	116.5°	117.3°
N4	C19	C13	104.9°	109.7°
N4	C19	H16	110.6°	109.5°
N4	C19	H17	110.6°	109.4°
N4	C18	C17	113.1°	107.9°
N4	C18	H14	108.5°	109.8°
N4	C18	H15	108.6°	109.8°
C12	C13	C19	122.9°	117.8°
C12	C13	C14	120.7°	119.9°
C13	C12	H9	120.3°	119.7°
CE1	CZ	OH	114.5°	119.9°
CZ	CE1	H6	109.9°	109.5°
CZ	CE1	H7	109.9°	109.5°
CZ	OH	H8	109.5°	117.0°
C16	C15	C14	119.5°	120.6°
C16	C15	H10	120.3°	119.7°
C15	C16	H11	119.8°	120.1°
C19	C13	C14	116.4°	122.3°
C13	C19	H16	110.6°	109.4°
C13	C19	H17	110.6°	109.4°
C13	C14	C15	120.0°	119.5°
C13	C14	C17	118.5°	122.9°
C18	C17	C14	111.3°	110.9°
C18	C17	H12	109.0°	109.2°
C18	C17	H13	109.0°	109.1°
C17	C18	H14	108.6°	109.8°
C17	C18	H15	108.5°	109.8°
C15	C14	C17	121.5°	117.6°
C14	C15	H10	120.3°	119.7°
C14	C17	H12	109.0°	109.2°
C14	C17	H13	109.0°	109.2°
H1	C7	H2	109.4°	109.5°
H1	C7	H3	109.5°	109.4°
H2	C7	H3	109.5°	109.4°
H6	CE1	H7	109.4°	109.5°
H12	C17	H13	109.5°	109.2°
H14	C18	H15	109.5°	109.7°
H16	C19	H17	109.5°	109.4°
H23	C27	H24	109.4°	109.5°
H25	C28	H26	109.5°	109.4°
H25	C28	H27	109.5°	109.5°
H26	C28	H27	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	N2	N1	C27	180.0°	179.7°
N	N2	N1	C2	0.0°	0.1°
N2	N	CA	C2	0.0°	0.1°
N2	N	CA	CB	179.9°	180.0°
N2	N1	C27	C28	96.2°	89.6°
N2	N1	C27	C2	180.0°	179.6°
N1	N2	N	CA	0.0°	0.1°
N2	N1	C2	CA	0.0°	0.0°
N2	N1	C2	C3	180.0°	179.9°
N2	N1	C27	H23	23.8°	30.4°
N2	N1	C27	H24	143.8°	150.3°
C28	C27	N1	H23	120.0°	120.0°
C28	C27	N1	H24	120.0°	120.1°
C28	C27	N1	C2	83.8°	90.0°
C28	C27	H23	H24	120.0°	120.1°
C27	C28	H25	H26	120.0°	120.0°
C27	C28	H25	H27	120.0°	120.1°
C27	C28	H26	H27	120.0°	120.0°
C27	N1	C2	CA	180.0°	179.7°
C27	N1	C2	C3	0.0°	0.3°
N1	C27	H23	H24	120.0°	119.9°
N1	C27	C28	H25	180.0°	60.0°
N1	C27	C28	H26	60.0°	180.0°
N1	C27	C28	H27	60.0°	60.1°
N	CA	C2	N1	0.0°	0.0°
N	CA	C2	CB	179.9°	179.9°
N	CA	C2	C3	180.0°	180.0°
N	CA	CB	C7	0.0°	0.1°
N	CA	CB	CG	179.9°	179.9°
N1	C2	CA	C3	180.0°	180.0°
N1	C2	CA	CB	179.9°	180.0°
N1	C2	C3	CD2	179.8°	180.0°
C2	N1	C27	H23	156.2°	150.0°
C2	N1	C27	H24	36.2°	30.1°
N1	C2	C3	H28	0.2°	0.0°
C2	CA	CB	C7	179.9°	179.9°
C2	CA	CB	CG	0.0°	0.1°
CA	C2	C3	CD2	0.2°	0.1°
CA	C2	C3	H28	179.9°	180.0°
CB	CA	C2	C3	0.1°	0.1°
CA	CB	C7	CG	179.9°	180.0°
CA	CB	CG	CD2	0.5°	0.0°
CA	CB	CG	CD1	179.7°	180.0°
CA	CB	C7	H1	89.9°	95.9°
CA	CB	C7	H2	150.1°	144.1°
CA	CB	C7	H3	30.1°	24.1°
C2	C3	CD2	H28	180.0°	180.0°
C2	C3	CD2	CG	0.6°	0.0°
C2	C3	CD2	H5	179.4°	180.0°
C25	C24	C23	H20	180.0°	179.7°
C24	C25	C26	H21	180.0°	179.7°
C25	C24	C23	C22	0.0°	0.0°
C24	C25	C26	C21	0.8°	0.6°
C25	C24	C23	H19	180.0°	180.0°
C24	C25	C26	H22	179.2°	180.0°
C23	C24	C25	C26	0.2°	0.3°
C24	C23	C22	H19	180.0°	180.0°
C24	C23	C22	C21	0.6°	0.1°
C24	C23	C22	H18	179.4°	180.0°
C23	C24	C25	H21	179.8°	180.0°
C25	C26	C21	H22	180.0°	179.4°
C25	C26	C21	C22	1.3°	0.6°
C25	C26	C21	C20	179.6°	179.6°
C26	C25	C24	H20	179.8°	180.0°
C23	C22	C21	C26	1.2°	0.2°
C23	C22	C21	H18	180.0°	180.0°
C23	C22	C21	C20	179.5°	180.0°
C22	C23	C24	H20	179.9°	179.7°
C7	CB	CG	CD2	179.7°	180.0°
C7	CB	CG	CD1	0.4°	0.1°
CB	C7	H1	H2	120.0°	120.0°
CB	C7	H1	H3	120.0°	120.0°
CB	C7	H2	H3	120.0°	120.0°
CB	CG	CD2	C3	0.8°	0.1°
CB	CG	CD2	CD1	179.3°	179.9°
CB	CG	CD1	C11	69.8°	113.9°
CB	CG	CD1	CE1	165.6°	126.2°
CG	CB	C7	H1	89.9°	84.1°
CG	CB	C7	H2	30.1°	35.9°
CG	CB	C7	H3	150.1°	155.9°
CB	CG	CD1	H4	47.8°	6.1°
CB	CG	CD2	H5	179.2°	180.0°
C3	CD2	CG	H5	180.0°	180.0°
C3	CD2	CG	CD1	179.9°	180.0°
C26	C21	C22	C20	178.3°	179.8°
C26	C21	C20	O	115.9°	148.5°
C26	C21	C20	N4	41.6°	31.4°
C26	C21	C22	H18	178.8°	179.7°
C21	C26	C25	H21	179.2°	179.7°
C22	C21	C20	O	62.4°	31.3°
C22	C21	C20	N4	140.0°	148.8°
C21	C22	C23	H19	179.4°	180.0°
C22	C21	C26	H22	178.7°	180.0°
C21	C20	O	N4	155.3°	179.9°
C21	C20	N4	C19	57.4°	5.6°
C21	C20	N4	C18	150.7°	174.4°
C20	C21	C22	H18	0.4°	0.1°
C20	C21	C26	H22	0.4°	0.2°
CD2	CG	CD1	C11	109.5°	66.2°
CD2	CG	CD1	CE1	15.1°	53.8°
CD2	CG	CD1	H4	132.9°	173.8°
CG	CD2	C3	H28	179.4°	179.9°
CG	CD1	C11	CE1	125.5°	120.0°
CG	CD1	C11	H4	117.6°	120.0°
CG	CD1	CE1	H4	118.0°	120.0°
CG	CD1	C11	C12	44.2°	112.1°
CG	CD1	C11	C16	134.5°	68.1°
CG	CD1	CE1	CZ	74.2°	175.0°
CD1	CG	CD2	H5	0.1°	0.0°
CG	CD1	CE1	H6	45.5°	55.0°
CG	CD1	CE1	H7	166.0°	65.0°
O2	CZ	CE1	CD1	16.4°	0.0°
O2	CZ	CE1	OH	179.6°	180.0°
O2	CZ	CE1	H6	136.1°	120.0°
O2	CZ	CE1	H7	103.3°	120.0°
O2	CZ	OH	H8	0.0°	0.1°
O	C20	N4	C19	147.0°	174.5°
O	C20	N4	C18	4.9°	5.5°
C20	N4	C19	C18	151.8°	180.0°
C20	N4	C19	C13	145.0°	135.6°
C20	N4	C18	C17	178.4°	115.6°
C20	N4	C18	H14	57.8°	4.0°
C20	N4	C18	H15	61.1°	124.7°
C20	N4	C19	H16	25.7°	104.3°
C20	N4	C19	H17	95.7°	15.6°
C11	CD1	CE1	H4	117.1°	120.0°
CD1	C11	C12	C16	178.7°	179.8°
CD1	C11	C12	C13	179.5°	180.0°
C11	CD1	CE1	CZ	160.8°	65.0°
CD1	C11	C16	C15	179.2°	179.8°
C11	CD1	CE1	H6	79.4°	175.0°
C11	CD1	CE1	H7	41.1°	55.0°
CD1	C11	C12	H9	0.5°	0.0°
CD1	C11	C16	H11	0.8°	0.4°
CE1	CD1	C11	C12	81.3°	127.9°
CE1	CD1	C11	C16	100.0°	51.8°
CD1	CE1	CZ	H6	119.7°	120.0°
CD1	CE1	CZ	H7	119.7°	120.0°
CD1	CE1	CZ	OH	163.3°	180.0°
CD1	CE1	H6	H7	120.8°	120.0°
C11	C12	C13	H9	180.0°	180.0°
C12	C11	C16	C15	0.5°	0.0°
C11	C12	C13	C19	179.6°	179.5°
C11	C12	C13	C14	0.8°	0.4°
C12	C11	CD1	H4	161.8°	7.9°
C12	C11	C16	H11	179.5°	179.8°
C16	C11	C12	C13	0.8°	0.2°
C11	C16	C15	H11	180.0°	179.8°
C11	C16	C15	C14	0.1°	0.1°
C16	C11	CD1	H4	17.0°	171.9°
C16	C11	C12	H9	179.2°	179.8°
C11	C16	C15	H10	179.9°	180.0°
N4	C19	C13	C12	129.9°	169.0°
N4	C19	C13	H16	119.3°	120.1°
N4	C19	C13	H17	119.3°	120.0°
N4	C19	C13	C14	49.0°	11.1°
C19	N4	C18	C17	25.2°	64.3°
C19	N4	C18	H14	95.3°	176.1°
C19	N4	C18	H15	145.8°	55.3°
N4	C19	H16	H17	122.1°	119.8°
C18	N4	C19	C13	63.2°	44.3°
N4	C18	C17	H14	120.5°	119.6°
N4	C18	C17	H15	120.5°	119.7°
N4	C18	C17	C14	26.5°	47.4°
N4	C18	C17	H12	93.8°	73.0°
N4	C18	C17	H13	146.8°	167.7°
N4	C18	H14	H15	118.3°	120.8°
C18	N4	C19	H16	177.5°	75.8°
C18	N4	C19	H17	56.0°	164.4°
C12	C13	C19	C14	178.9°	179.9°
C12	C13	C14	C15	0.4°	0.4°
C12	C13	C14	C17	179.9°	179.4°
C12	C13	C19	H16	10.7°	70.9°
C12	C13	C19	H17	110.8°	49.1°
CZ	CE1	CD1	H4	43.7°	55.0°
CZ	CE1	H6	H7	120.8°	120.0°
CE1	CZ	OH	H8	179.6°	180.0°
OH	CZ	CE1	H6	43.5°	60.0°
OH	CZ	CE1	H7	77.0°	60.0°
C16	C15	C14	C13	0.1°	0.2°
C16	C15	C14	H10	180.0°	180.0°
C16	C15	C14	C17	179.8°	179.5°
C19	C13	C14	C15	179.4°	179.5°
C19	C13	C14	C17	1.0°	0.7°
C19	C13	C12	H9	0.4°	0.5°
C13	C19	H16	H17	122.1°	119.9°
C13	C14	C17	C18	40.4°	19.7°
C13	C14	C15	C17	179.7°	179.8°
C14	C13	C12	H9	179.2°	179.6°
C13	C14	C15	H10	179.9°	179.8°
C13	C14	C17	H12	80.0°	100.7°
C13	C14	C17	H13	160.6°	139.9°
C14	C13	C19	H16	168.2°	109.1°
C14	C13	C19	H17	70.3°	131.0°
C18	C17	C14	C15	140.0°	160.6°
C18	C17	C14	H12	120.3°	120.4°
C18	C17	C14	H13	120.3°	120.3°
C18	C17	H12	H13	119.1°	119.2°
C17	C18	H14	H15	118.3°	120.7°
C14	C15	C16	H11	179.9°	179.8°
C15	C14	C17	H12	99.7°	79.1°
C15	C14	C17	H13	19.7°	40.3°
C17	C14	C15	H10	0.2°	0.4°
C14	C17	H12	H13	119.2°	119.4°
C14	C17	C18	H14	147.0°	167.0°
C14	C17	C18	H15	94.1°	72.3°
H1	C7	H2	H3	120.0°	119.9°
H4	CD1	CE1	H6	163.5°	65.0°
H4	CD1	CE1	H7	76.0°	175.0°
H5	CD2	C3	H28	0.6°	0.0°
H10	C15	C16	H11	0.1°	0.2°
H12	C17	C18	H14	26.7°	46.6°
H12	C17	C18	H15	145.7°	167.4°
H13	C17	C18	H14	92.7°	72.7°
H13	C17	C18	H15	26.2°	48.1°
H18	C22	C23	H19	0.6°	0.0°
H19	C23	C24	H20	0.1°	0.3°
H20	C24	C25	H21	0.2°	0.3°
H21	C25	C26	H22	0.8°	0.3°
H23	C27	C28	H25	60.0°	60.0°
H23	C27	C28	H26	60.0°	60.0°
H23	C27	C28	H27	180.0°	180.0°
H24	C27	C28	H25	60.0°	180.0°
H24	C27	C28	H26	180.0°	60.0°
H24	C27	C28	H27	60.0°	59.9°
H25	C28	H26	H27	120.0°	119.9°

Release date:	2020-01-15
Definition date:	2019-08-12
Last modified:	2020-01-10
Release status:	REL
Processing site:	RCSB
Derived from:	6TYP