P7A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.22Å	1.24Å
C1	N2	sing	1.35Å	1.34Å
C1	N9	sing	1.35Å	1.34Å
N1	C2	sing	1.40Å	1.42Å
N1	C20	sing	1.46Å	1.47Å
N1	C24	sing	1.46Å	1.48Å
S1	C2	sing	1.76Å	1.80Å	Aromatic
S1	C13	sing	1.76Å	1.82Å	Aromatic
C2	C10	doub	1.34Å	1.46Å	Aromatic
N2	C3	sing	1.40Å	1.42Å
O2	S2	doub	1.42Å	1.76Å
S2	O3	doub	1.42Å	1.76Å
S2	C21	sing	1.82Å	1.82Å
S2	C23	sing	1.82Å	1.81Å
C3	C4	doub	1.41Å	1.46Å	Aromatic
C3	C8	sing	1.38Å	1.46Å	Aromatic
C4	C5	sing	1.42Å	1.46Å	Aromatic
C4	C31	sing	1.40Å	1.46Å	Aromatic
C5	C6	doub	1.40Å	1.46Å	Aromatic
C5	C34	sing	1.41Å	1.46Å	Aromatic
C6	C7	sing	1.36Å	1.45Å	Aromatic
C7	C8	doub	1.39Å	1.46Å	Aromatic
N9	C10	sing	1.41Å	1.42Å
C10	C14	sing	1.39Å	1.46Å	Aromatic
C13	C14	doub	1.33Å	1.46Å	Aromatic
C13	C16	sing	1.51Å	1.46Å
C16	C17	sing	1.53Å	1.52Å
C16	C18	sing	1.53Å	1.52Å
C16	C19	sing	1.53Å	1.52Å
C20	C21	sing	1.53Å	1.52Å
C23	C24	sing	1.53Å	1.52Å
C31	C32	doub	1.36Å	1.46Å	Aromatic
C32	C33	sing	1.39Å	1.46Å	Aromatic
C33	C34	doub	1.36Å	1.46Å	Aromatic
N2	HN2	sing	0.97Å	1.00Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å
C14	H14	sing	1.08Å	1.08Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18B	sing	1.09Å	1.10Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C31	H31	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å
C33	H33	sing	1.08Å	1.08Å
C34	H34	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N2	120.4°	120.0°
O1	C1	N9	121.0°	120.0°
N2	C1	N9	118.7°	120.0°
C1	N2	C3	126.9°	120.0°
C1	N2	HN2	116.6°	120.0°
C1	N9	C10	129.6°	120.0°
C1	N9	HN9	115.2°	120.0°
C2	N1	C20	116.8°	111.0°
C2	N1	C24	110.2°	111.0°
N1	C2	S1	118.1°	125.2°
N1	C2	C10	130.8°	125.3°
C20	N1	C24	115.3°	112.4°
N1	C20	C21	112.4°	109.9°
N1	C20	H20	108.5°	109.4°
N1	C20	H20A	108.5°	109.4°
N1	C24	C23	113.0°	109.9°
N1	C24	H24	108.3°	109.4°
N1	C24	H24A	108.3°	109.5°
C2	S1	C13	93.6°	91.1°
S1	C2	C10	110.1°	109.5°
S1	C13	C14	108.8°	109.8°
S1	C13	C16	125.7°	125.1°
C2	C10	N9	123.0°	122.6°
C2	C10	C14	113.1°	114.6°
N2	C3	C4	121.3°	120.3°
N2	C3	C8	118.6°	120.3°
C3	N2	HN2	116.5°	120.0°
O2	S2	O3	111.9°	119.3°
O2	S2	C21	110.7°	108.7°
O2	S2	C23	113.3°	108.7°
O3	S2	C21	112.3°	108.8°
O3	S2	C23	110.6°	108.8°
C21	S2	C23	97.2°	101.0°
S2	C21	C20	112.8°	108.7°
S2	C21	H21	108.4°	109.6°
S2	C21	H21A	108.4°	109.6°
S2	C23	C24	111.6°	108.6°
S2	C23	H23	108.8°	109.6°
S2	C23	H23A	108.8°	109.6°
C4	C3	C8	119.6°	119.4°
C3	C4	C5	119.9°	119.3°
C3	C4	C31	121.8°	121.2°
C3	C8	C7	120.6°	120.7°
C3	C8	H8	119.7°	119.6°
C5	C4	C31	118.1°	119.5°
C4	C5	C6	119.8°	119.5°
C4	C5	C34	122.3°	119.3°
C4	C31	C32	120.5°	119.6°
C4	C31	H31	119.8°	120.2°
C6	C5	C34	117.8°	121.2°
C5	C6	C7	120.5°	120.0°
C5	C6	H6	119.8°	120.0°
C5	C34	C33	118.7°	119.7°
C5	C34	H34	120.6°	120.1°
C6	C7	C8	119.5°	121.1°
C7	C6	H6	119.7°	120.0°
C6	C7	H7	120.2°	119.5°
C8	C7	H7	120.2°	119.4°
C7	C8	H8	119.7°	119.6°
N9	C10	C14	123.8°	122.7°
C10	N9	HN9	115.2°	120.0°
C10	C14	C13	114.4°	114.9°
C10	C14	H14	122.8°	122.5°
C14	C13	C16	125.2°	125.1°
C13	C14	H14	122.8°	122.6°
C13	C16	C17	109.4°	109.4°
C13	C16	C18	113.5°	109.5°
C13	C16	C19	111.4°	109.5°
C17	C16	C18	106.8°	109.4°
C17	C16	C19	107.8°	109.5°
C16	C17	H17	109.5°	109.5°
C16	C17	H17A	109.5°	109.4°
C16	C17	H17B	109.5°	109.4°
C18	C16	C19	107.7°	109.5°
C16	C18	H18	109.5°	109.4°
C16	C18	H18A	109.4°	109.5°
C16	C18	H18B	109.5°	109.4°
C16	C19	H19	109.5°	109.5°
C16	C19	H19A	109.5°	109.5°
C16	C19	H19B	109.4°	109.4°
C21	C20	H20	108.5°	109.4°
C21	C20	H20A	108.5°	109.4°
C20	C21	H21	108.4°	109.6°
C20	C21	H21A	108.4°	109.6°
C24	C23	H23	108.8°	109.6°
C24	C23	H23A	108.7°	109.6°
C23	C24	H24	108.3°	109.4°
C23	C24	H24A	108.3°	109.4°
C31	C32	C33	120.5°	121.0°
C32	C31	H31	119.8°	120.2°
C31	C32	H32	119.8°	119.5°
C32	C33	C34	119.9°	121.0°
C33	C32	H32	119.7°	119.5°
C32	C33	H33	120.1°	119.5°
C34	C33	H33	120.1°	119.5°
C33	C34	H34	120.6°	120.2°
H17	C17	H17A	109.5°	109.5°
H17	C17	H17B	109.4°	109.5°
H17A	C17	H17B	109.5°	109.5°
H18	C18	H18A	109.5°	109.5°
H18	C18	H18B	109.4°	109.5°
H18A	C18	H18B	109.5°	109.5°
H19	C19	H19A	109.4°	109.5°
H19	C19	H19B	109.5°	109.4°
H19A	C19	H19B	109.5°	109.5°
H20	C20	H20A	110.4°	109.3°
H21	C21	H21A	110.5°	109.8°
H23	C23	H23A	110.2°	109.8°
H24	C24	H24A	110.6°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N2	N9	179.8°	179.7°
O1	C1	N2	C3	7.5°	4.7°
O1	C1	N9	C10	2.0°	5.8°
O1	C1	N2	HN2	172.5°	175.3°
O1	C1	N9	HN9	178.0°	174.2°
C1	N2	C3	HN2	180.0°	180.0°
C1	N2	C3	C4	145.4°	151.9°
C1	N2	C3	C8	42.5°	27.8°
N2	C1	N9	C10	177.8°	174.5°
N2	C1	N9	HN9	2.2°	5.5°
C1	N9	C10	C2	128.8°	171.3°
N9	C1	N2	C3	172.7°	175.6°
C1	N9	C10	HN9	180.0°	180.0°
C1	N9	C10	C14	55.3°	8.8°
N9	C1	N2	HN2	7.3°	4.4°
C2	N1	C20	C24	131.8°	125.0°
N1	C2	S1	C10	170.3°	180.0°
N1	C2	S1	C13	168.8°	180.0°
N1	C2	C10	N9	16.5°	0.1°
N1	C2	C10	C14	167.2°	180.0°
C2	N1	C20	C21	169.7°	163.0°
C2	N1	C24	C23	165.2°	163.0°
C2	N1	C20	H20	70.3°	76.9°
C2	N1	C20	H20A	49.7°	42.9°
C2	N1	C24	H24	45.2°	42.9°
C2	N1	C24	H24A	74.8°	76.8°
C20	N1	C2	S1	140.6°	10.3°
C20	N1	C2	C10	51.5°	169.7°
N1	C20	C21	S2	59.1°	62.7°
N1	C20	C21	H20	120.0°	120.1°
N1	C20	C21	H20A	120.0°	120.1°
C20	N1	C24	C23	60.0°	72.1°
N1	C20	H20	H20A	118.8°	119.8°
N1	C20	C21	H21	60.9°	57.1°
N1	C20	C21	H21A	179.1°	177.6°
C20	N1	C24	H24	180.0°	167.9°
C20	N1	C24	H24A	60.0°	48.1°
C24	N1	C2	S1	6.5°	115.5°
C24	N1	C2	C10	174.5°	64.5°
N1	C24	C23	S2	61.0°	62.7°
C24	N1	C20	C21	58.5°	72.0°
N1	C24	C23	H24	120.0°	120.1°
N1	C24	C23	H24A	120.0°	120.2°
C24	N1	C20	H20	61.5°	48.1°
C24	N1	C20	H20A	178.5°	167.9°
N1	C24	C23	H23	179.0°	177.6°
N1	C24	C23	H23A	59.0°	57.1°
N1	C24	H24	H24A	118.6°	119.9°
S1	C2	C10	N9	174.7°	179.9°
S1	C2	C10	C14	1.5°	0.0°
C2	S1	C13	C14	1.2°	0.0°
C2	S1	C13	C16	172.3°	180.0°
C13	S1	C2	C10	1.6°	0.0°
S1	C13	C14	C10	0.6°	0.0°
S1	C13	C14	C16	173.6°	180.0°
S1	C13	C16	C17	126.4°	120.0°
S1	C13	C16	C18	7.3°	0.0°
S1	C13	C16	C19	114.5°	120.0°
S1	C13	C14	H14	179.4°	180.0°
C2	C10	N9	C14	175.8°	179.9°
C2	C10	C14	C13	0.6°	0.0°
C2	C10	N9	HN9	51.1°	8.6°
C2	C10	C14	H14	179.4°	180.0°
N2	C3	C4	C8	172.0°	179.6°
N2	C3	C4	C5	169.9°	180.0°
N2	C3	C4	C31	14.5°	0.2°
N2	C3	C8	C7	171.7°	179.8°
N2	C3	C8	H8	8.3°	0.1°
O2	S2	O3	C21	125.2°	125.4°
O2	S2	O3	C23	127.3°	125.4°
O2	S2	C21	C23	118.3°	114.2°
O2	S2	C21	C20	172.4°	166.5°
O2	S2	C23	C24	170.7°	166.6°
O2	S2	C21	H21	52.4°	46.8°
O2	S2	C21	H21A	67.6°	73.7°
O2	S2	C23	H23	69.3°	73.7°
O2	S2	C23	H23A	50.7°	46.8°
O3	S2	C21	C23	115.9°	114.4°
O3	S2	C21	C20	61.7°	62.0°
O3	S2	C23	C24	62.7°	62.0°
O3	S2	C21	H21	178.3°	178.2°
O3	S2	C21	H21A	58.3°	57.7°
O3	S2	C23	H23	57.3°	57.7°
O3	S2	C23	H23A	177.3°	178.2°
S2	C21	C20	H21	120.0°	119.7°
S2	C21	C20	H21A	120.0°	119.7°
C21	S2	C23	C24	54.5°	52.4°
S2	C21	C20	H20	60.9°	57.5°
S2	C21	C20	H20A	179.1°	177.2°
S2	C21	H21	H21A	118.7°	120.4°
C21	S2	C23	H23	174.5°	172.0°
C21	S2	C23	H23A	65.5°	67.4°
C23	S2	C21	C20	54.1°	52.3°
S2	C23	C24	H23	120.0°	119.7°
S2	C23	C24	H23A	120.0°	119.8°
C23	S2	C21	H21	65.9°	67.4°
C23	S2	C21	H21A	174.1°	172.1°
S2	C23	H23	H23A	119.1°	120.5°
S2	C23	C24	H24	179.1°	177.2°
S2	C23	C24	H24A	59.0°	57.5°
C3	C4	C5	C31	175.8°	179.9°
C3	C4	C5	C6	2.2°	0.0°
C3	C4	C5	C34	177.7°	180.0°
C4	C3	C8	C7	0.6°	0.6°
C3	C4	C31	C32	176.0°	180.0°
C4	C3	N2	HN2	34.6°	28.2°
C4	C3	C8	H8	179.5°	179.7°
C3	C4	C31	H31	4.0°	0.1°
C8	C3	C4	C5	2.1°	0.3°
C8	C3	C4	C31	173.5°	179.8°
C3	C8	C7	C6	1.0°	0.6°
C3	C8	C7	H8	180.0°	179.7°
C8	C3	N2	HN2	137.5°	152.2°
C3	C8	C7	H7	179.0°	179.6°
C4	C5	C6	C34	175.7°	179.9°
C4	C5	C6	C7	0.6°	0.0°
C5	C4	C31	C32	0.2°	0.1°
C4	C5	C34	C33	2.0°	0.1°
C4	C5	C6	H6	179.4°	180.0°
C5	C4	C31	H31	179.8°	180.0°
C4	C5	C34	H34	178.0°	180.0°
C31	C4	C5	C6	173.6°	179.9°
C31	C4	C5	C34	1.9°	0.1°
C4	C31	C32	H31	180.0°	179.9°
C4	C31	C32	C33	1.2°	0.1°
C4	C31	C32	H32	178.8°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.9°	0.3°
C6	C5	C34	C33	173.6°	179.9°
C5	C6	C7	H7	179.1°	179.9°
C6	C5	C34	H34	6.4°	0.1°
C34	C5	C6	C7	176.3°	180.0°
C5	C34	C33	C32	0.5°	0.1°
C5	C34	C33	H34	180.0°	179.9°
C34	C5	C6	H6	3.7°	0.0°
C5	C34	C33	H33	179.5°	180.0°
C6	C7	C8	H7	180.0°	179.8°
C6	C7	C8	H8	179.0°	179.7°
C8	C7	C6	H6	179.0°	179.7°
N9	C10	C14	C13	175.6°	179.9°
N9	C10	C14	H14	4.4°	0.1°
C10	C14	C13	H14	180.0°	180.0°
C10	C14	C13	C16	173.0°	180.0°
C14	C10	N9	HN9	124.7°	171.3°
C14	C13	C16	C17	46.1°	60.0°
C14	C13	C16	C18	165.2°	180.0°
C14	C13	C16	C19	73.0°	60.0°
C13	C16	C17	C18	123.2°	120.0°
C13	C16	C17	C19	121.3°	120.0°
C13	C16	C18	C19	123.9°	120.1°
C16	C13	C14	H14	7.0°	0.0°
C13	C16	C17	H17	180.0°	59.9°
C13	C16	C17	H17A	60.0°	180.0°
C13	C16	C17	H17B	60.0°	60.0°
C13	C16	C18	H18	180.0°	60.0°
C13	C16	C18	H18A	60.0°	180.0°
C13	C16	C18	H18B	60.0°	60.0°
C13	C16	C19	H19	180.0°	59.9°
C13	C16	C19	H19A	60.0°	180.0°
C13	C16	C19	H19B	60.0°	60.0°
C17	C16	C18	C19	115.6°	120.0°
C16	C17	H17	H17A	120.0°	120.0°
C16	C17	H17	H17B	120.0°	120.0°
C16	C17	H17A	H17B	120.0°	119.9°
C17	C16	C18	H18	59.4°	180.0°
C17	C16	C18	H18A	179.4°	60.0°
C17	C16	C18	H18B	60.6°	60.0°
C17	C16	C19	H19	60.0°	60.0°
C17	C16	C19	H19A	60.0°	60.0°
C17	C16	C19	H19B	179.9°	180.0°
C18	C16	C17	H17	56.8°	60.0°
C18	C16	C17	H17A	63.2°	60.0°
C18	C16	C17	H17B	176.8°	180.0°
C16	C18	H18	H18A	120.0°	120.0°
C16	C18	H18	H18B	120.0°	119.9°
C16	C18	H18A	H18B	120.0°	119.9°
C18	C16	C19	H19	54.9°	180.0°
C18	C16	C19	H19A	174.9°	60.0°
C18	C16	C19	H19B	65.2°	60.0°
C19	C16	C17	H17	58.7°	180.0°
C19	C16	C17	H17A	178.7°	60.0°
C19	C16	C17	H17B	61.2°	60.0°
C19	C16	C18	H18	56.2°	60.0°
C19	C16	C18	H18A	63.8°	60.0°
C19	C16	C18	H18B	176.1°	180.0°
C16	C19	H19	H19A	120.0°	120.0°
C16	C19	H19	H19B	120.0°	120.0°
C16	C19	H19A	H19B	120.0°	120.0°
C21	C20	H20	H20A	118.8°	119.8°
C20	C21	H21	H21A	118.6°	120.4°
C24	C23	H23	H23A	119.1°	120.4°
C23	C24	H24	H24A	118.6°	119.8°
C31	C32	C33	H32	180.0°	179.9°
C31	C32	C33	C34	1.0°	0.1°
C31	C32	C33	H33	179.0°	180.0°
C32	C33	C34	H33	180.0°	179.9°
C33	C32	C31	H31	178.8°	180.0°
C32	C33	C34	H34	179.5°	180.0°
C34	C33	C32	H32	178.9°	180.0°
H6	C6	C7	H7	0.9°	0.1°
H7	C7	C8	H8	1.0°	0.0°
H17	C17	H17A	H17B	120.0°	120.0°
H18	C18	H18A	H18B	120.0°	120.1°
H19	C19	H19A	H19B	120.0°	120.0°
H20	C20	C21	H21	179.1°	177.2°
H20	C20	C21	H21A	59.1°	62.2°
H20A	C20	C21	H21	59.1°	63.0°
H20A	C20	C21	H21A	60.9°	57.5°
H23	C23	C24	H24	59.0°	57.5°
H23	C23	C24	H24A	61.0°	62.2°
H23A	C23	C24	H24	61.0°	63.0°
H23A	C23	C24	H24A	179.0°	177.3°
H31	C31	C32	H32	1.2°	0.1°
H32	C32	C33	H33	1.1°	0.1°
H33	C33	C34	H34	0.5°	0.1°

Definition date:	2010-10-13
Last modified:	2011-10-07
Release status:	REL
Processing site:	RCSB
Derived from:	3P7A