RRP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N29	C28	doub	1.30Å	1.34Å
N29	H29	sing	0.97Å	1.02Å
C28	N30	sing	1.38Å	1.35Å
C28	C27	sing	1.48Å	1.48Å
N30	H301	sing	0.97Å	1.02Å
N30	H302	sing	0.97Å	1.02Å
C27	C26	doub	1.39Å	1.42Å	Aromatic
C27	C25	sing	1.39Å	1.42Å	Aromatic
C26	C24	sing	1.38Å	1.42Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C24	C22	doub	1.38Å	1.41Å	Aromatic
C24	C21	sing	1.51Å	1.52Å
C22	C23	sing	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	C25	doub	1.38Å	1.41Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C25	H25	sing	1.08Å	1.10Å
C21	N2	sing	1.46Å	1.48Å
C21	H211	sing	1.09Å	1.12Å
C21	H212	sing	1.09Å	1.11Å
N2	C8	sing	1.33Å	1.39Å
N2	C2	sing	1.46Å	1.49Å
C8	O1	doub	1.21Å	1.23Å
C8	C4	sing	1.50Å	1.53Å
C4	N1	sing	1.47Å	1.49Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
N1	C7	sing	1.47Å	1.49Å
N1	S4	sing	1.65Å	1.64Å
C7	C2	sing	1.53Å	1.54Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C2	H21	sing	1.09Å	1.12Å
C2	H22A	sing	1.09Å	1.12Å
S4	O8	doub	1.42Å	1.43Å
S4	O9	doub	1.42Å	1.45Å
S4	C1	sing	1.76Å	1.71Å
C1	C3	doub	1.34Å	1.43Å	Aromatic
C1	S2	sing	1.78Å	1.72Å	Aromatic
C3	C6	sing	1.46Å	1.45Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C6	C5	doub	1.41Å	1.42Å	Aromatic
C6	C11	sing	1.41Å	1.40Å	Aromatic
C5	S2	sing	1.77Å	1.68Å	Aromatic
C5	C10	sing	1.38Å	1.45Å	Aromatic
C10	C14	doub	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C14	CL	sing	1.74Å	1.72Å
C14	C15	sing	1.39Å	1.43Å	Aromatic
C15	C11	doub	1.36Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C11	H11	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	N29	H29	110.6°	120.0°
N29	C28	N30	119.2°	120.0°
N29	C28	C27	121.5°	120.0°
N30	C28	C27	119.3°	120.0°
C28	N30	H301	119.2°	120.0°
C28	N30	H302	108.7°	120.0°
C28	C27	C26	120.6°	120.1°
C28	C27	C25	120.7°	120.1°
H301	N30	H302	108.7°	120.0°
C26	C27	C25	118.7°	119.7°
C27	C26	C24	121.1°	119.9°
C27	C26	H26	119.6°	120.1°
C27	C25	C23	120.2°	119.8°
C27	C25	H25	120.2°	120.1°
C24	C26	H26	119.4°	120.1°
C26	C24	C22	119.0°	120.2°
C26	C24	C21	120.1°	119.9°
C22	C24	C21	120.9°	119.9°
C24	C22	C23	120.4°	120.2°
C24	C22	H22	120.1°	119.9°
C24	C21	N2	113.2°	109.4°
C24	C21	H211	110.8°	109.4°
C24	C21	H212	110.8°	109.5°
C23	C22	H22	119.5°	119.9°
C22	C23	C25	120.7°	120.2°
C22	C23	H23	119.5°	119.9°
C25	C23	H23	119.8°	119.9°
C23	C25	H25	119.6°	120.1°
N2	C21	H211	110.9°	109.5°
N2	C21	H212	110.9°	109.5°
C21	N2	C8	120.4°	117.7°
C21	N2	C2	116.1°	117.8°
H211	C21	H212	99.4°	109.5°
C8	N2	C2	123.5°	124.5°
N2	C8	O1	124.0°	118.4°
N2	C8	C4	116.1°	123.1°
N2	C2	C7	115.7°	110.8°
N2	C2	H21	109.9°	109.2°
N2	C2	H22A	109.9°	109.2°
O1	C8	C4	120.0°	118.5°
C8	C4	N1	114.5°	108.9°
C8	C4	H41	110.3°	109.7°
C8	C4	H42	110.3°	109.4°
N1	C4	H41	110.4°	109.5°
N1	C4	H42	110.4°	109.6°
C4	N1	C7	108.3°	117.3°
C4	N1	S4	114.1°	121.4°
H41	C4	H42	99.9°	109.7°
C7	N1	S4	115.8°	121.4°
N1	C7	C2	112.3°	108.2°
N1	C7	H71	111.2°	109.8°
N1	C7	H72	111.2°	109.7°
N1	S4	O8	104.8°	105.8°
N1	S4	O9	108.0°	105.8°
N1	S4	C1	108.5°	107.4°
C2	C7	H71	111.1°	109.7°
C2	C7	H72	111.1°	109.7°
C7	C2	H21	110.0°	109.2°
C7	C2	H22A	110.0°	109.2°
H71	C7	H72	99.2°	109.7°
H21	C2	H22A	100.2°	109.1°
O8	S4	O9	115.5°	125.3°
O8	S4	C1	109.8°	105.7°
O9	S4	C1	110.0°	105.8°
S4	C1	C3	120.2°	128.3°
S4	C1	S2	125.2°	128.2°
C3	C1	S2	114.6°	103.5°
C1	C3	C6	108.6°	119.4°
C1	C3	H3	125.0°	120.3°
C1	S2	C5	90.8°	98.9°
C6	C3	H3	126.4°	120.3°
C3	C6	C5	111.1°	114.6°
C3	C6	C11	125.7°	128.8°
C5	C6	C11	123.2°	116.6°
C6	C5	S2	114.9°	103.6°
C6	C5	C10	117.1°	122.1°
C6	C11	C15	119.6°	120.8°
C6	C11	H11	119.3°	119.6°
S2	C5	C10	128.0°	134.3°
C5	C10	C14	120.0°	119.5°
C5	C10	H10	121.6°	120.2°
C14	C10	H10	118.4°	120.3°
C10	C14	CL	117.8°	120.3°
C10	C14	C15	121.5°	119.5°
CL	C14	C15	120.7°	120.2°
C14	C15	C11	118.7°	121.5°
C14	C15	H15	120.7°	119.2°
C11	C15	H15	120.6°	119.3°
C15	C11	H11	121.1°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N29	C28	N30	C27	179.6°	179.9°
N29	C28	N30	H301	180.0°	0.1°
N29	C28	N30	H302	54.7°	179.7°
N29	C28	C27	C26	152.7°	0.3°
N29	C28	C27	C25	27.5°	179.9°
H29	N29	C28	N30	100.6°	180.0°
H29	N29	C28	C27	79.0°	0.1°
C28	N30	H301	H302	125.3°	179.8°
N30	C28	C27	C26	27.7°	179.6°
N30	C28	C27	C25	152.1°	0.0°
C27	C28	N30	H301	0.4°	180.0°
C27	C28	N30	H302	124.9°	0.2°
C28	C27	C26	C25	179.8°	179.6°
C28	C27	C26	C24	179.8°	179.7°
C28	C27	C26	H26	0.2°	0.4°
C28	C27	C25	C23	179.7°	180.0°
C28	C27	C25	H25	0.2°	0.1°
C27	C26	C24	H26	179.9°	179.3°
C27	C26	C24	C22	0.0°	0.6°
C27	C26	C24	C21	179.8°	179.6°
C26	C27	C25	C23	0.1°	0.4°
C26	C27	C25	H25	179.9°	179.7°
C25	C27	C26	C24	0.0°	0.7°
C25	C27	C26	H26	180.0°	180.0°
C27	C25	C23	C22	0.1°	0.0°
C27	C25	C23	H25	180.0°	179.9°
C27	C25	C23	H23	179.9°	179.9°
C26	C24	C22	C21	179.9°	179.8°
C26	C24	C22	C23	0.1°	0.2°
C26	C24	C22	H22	179.9°	179.7°
C26	C24	C21	N2	131.9°	89.7°
C26	C24	C21	H211	6.6°	30.3°
C26	C24	C21	H212	102.8°	150.3°
H26	C26	C24	C22	179.9°	179.9°
H26	C26	C24	C21	0.2°	0.3°
C24	C22	C23	H22	180.0°	179.9°
C24	C22	C23	C25	0.0°	0.1°
C24	C22	C23	H23	180.0°	180.0°
C22	C24	C21	N2	48.0°	90.1°
C22	C24	C21	H211	173.2°	149.9°
C22	C24	C21	H212	77.3°	29.9°
C21	C24	C22	C23	179.8°	180.0°
C21	C24	C22	H22	0.2°	0.1°
C24	C21	N2	H211	125.3°	119.9°
C24	C21	N2	H212	125.3°	120.0°
C24	C21	H211	H212	116.7°	120.0°
C24	C21	N2	C8	104.6°	90.3°
C24	C21	N2	C2	75.7°	90.0°
C22	C23	C25	H23	180.0°	180.0°
C22	C23	C25	H25	180.0°	179.9°
H22	C22	C23	C25	180.0°	180.0°
H22	C22	C23	H23	0.0°	0.0°
H23	C23	C25	H25	0.1°	0.1°
N2	C21	H211	H212	116.7°	120.1°
C21	N2	C8	C2	179.8°	179.7°
C21	N2	C8	O1	0.1°	4.5°
C21	N2	C8	C4	179.9°	175.9°
C21	N2	C2	C7	179.2°	158.1°
C21	N2	C2	H21	54.0°	81.6°
C21	N2	C2	H22A	55.5°	37.7°
H211	C21	N2	C8	130.2°	149.8°
H211	C21	N2	C2	49.6°	29.9°
H212	C21	N2	C8	20.7°	29.7°
H212	C21	N2	C2	159.1°	150.0°
N2	C8	O1	C4	179.8°	179.6°
N2	C8	C4	N1	30.0°	12.3°
N2	C8	C4	H41	155.2°	132.1°
N2	C8	C4	H42	95.3°	107.5°
C8	N2	C2	C7	1.0°	21.6°
C8	N2	C2	H21	126.3°	98.8°
C8	N2	C2	H22A	124.3°	142.0°
C2	N2	C8	O1	179.8°	175.8°
C2	N2	C8	C4	0.3°	3.8°
N2	C2	C7	N1	30.7°	46.8°
N2	C2	C7	H21	125.3°	120.3°
N2	C2	C7	H22A	125.3°	120.4°
N2	C2	C7	H71	155.9°	73.0°
N2	C2	C7	H72	94.6°	166.4°
N2	C2	H21	H22A	115.7°	119.3°
O1	C8	C4	N1	150.2°	167.3°
O1	C8	C4	H41	25.0°	47.4°
O1	C8	C4	H42	84.5°	73.0°
C8	C4	N1	H41	125.2°	120.0°
C8	C4	N1	H42	125.2°	119.6°
C8	C4	H41	H42	116.2°	120.2°
C8	C4	N1	C7	58.8°	42.6°
C8	C4	N1	S4	170.6°	137.5°
N1	C4	H41	H42	116.3°	120.3°
C4	N1	C7	S4	129.7°	179.9°
C4	N1	C7	C2	58.2°	61.5°
C4	N1	C7	H71	176.6°	58.2°
C4	N1	C7	H72	67.0°	178.8°
C4	N1	S4	O8	176.0°	22.6°
C4	N1	S4	O9	52.3°	157.5°
C4	N1	S4	C1	66.8°	89.9°
H41	C4	N1	C7	176.0°	162.6°
H41	C4	N1	S4	45.4°	17.5°
H42	C4	N1	C7	66.4°	77.0°
H42	C4	N1	S4	64.2°	102.9°
N1	C7	C2	H71	125.3°	119.7°
N1	C7	C2	H72	125.3°	119.7°
N1	C7	H71	H72	117.1°	120.6°
N1	C7	C2	H21	155.9°	73.6°
N1	C7	C2	H22A	94.6°	167.1°
C7	N1	S4	O8	57.3°	157.4°
C7	N1	S4	O9	179.1°	22.6°
C7	N1	S4	C1	59.9°	90.0°
S4	N1	C7	C2	172.1°	118.5°
S4	N1	C7	H71	46.9°	121.8°
S4	N1	C7	H72	62.7°	1.2°
N1	S4	O8	O9	118.7°	123.2°
N1	S4	O8	C1	116.3°	113.7°
N1	S4	O9	C1	118.2°	113.8°
N1	S4	C1	C3	89.1°	89.6°
N1	S4	C1	S2	90.4°	90.0°
C2	C7	H71	H72	117.0°	120.6°
C7	C2	H21	H22A	115.8°	119.4°
H71	C7	C2	H21	78.8°	166.7°
H71	C7	C2	H22A	30.7°	47.4°
H72	C7	C2	H21	30.7°	46.1°
H72	C7	C2	H22A	140.2°	73.2°
O8	S4	O9	C1	124.9°	123.0°
O8	S4	C1	C3	156.9°	23.0°
O8	S4	C1	S2	23.5°	157.4°
O9	S4	C1	C3	28.8°	157.7°
O9	S4	C1	S2	151.7°	22.7°
S4	C1	C3	S2	179.6°	179.7°
S4	C1	C3	C6	179.4°	179.9°
S4	C1	C3	H3	0.6°	0.1°
S4	C1	S2	C5	179.3°	180.0°
C1	C3	C6	H3	180.0°	179.7°
C1	C3	C6	C5	0.1°	0.5°
C1	C3	C6	C11	179.7°	179.8°
C3	C1	S2	C5	0.2°	0.2°
S2	C1	C3	C6	0.2°	0.4°
S2	C1	C3	H3	179.8°	179.9°
C1	S2	C5	C6	0.2°	0.0°
C1	S2	C5	C10	179.6°	179.9°
C3	C6	C5	C11	179.8°	179.7°
C3	C6	C5	S2	0.0°	0.2°
C3	C6	C5	C10	179.7°	179.7°
C3	C6	C11	C15	179.6°	179.7°
C3	C6	C11	H11	0.4°	0.3°
H3	C3	C6	C5	179.9°	179.8°
H3	C3	C6	C11	0.3°	0.1°
C6	C5	S2	C10	179.8°	179.9°
C6	C5	C10	C14	0.3°	0.1°
C6	C5	C10	H10	179.8°	180.0°
C5	C6	C11	C15	0.2°	0.0°
C5	C6	C11	H11	179.9°	180.0°
C11	C6	C5	S2	179.8°	180.0°
C11	C6	C5	C10	0.1°	0.1°
C6	C11	C15	C14	0.0°	0.0°
C6	C11	C15	H11	179.9°	180.0°
C6	C11	C15	H15	179.9°	180.0°
S2	C5	C10	C14	179.5°	180.0°
S2	C5	C10	H10	0.5°	0.2°
C5	C10	C14	H10	180.0°	179.9°
C5	C10	C14	CL	179.4°	180.0°
C5	C10	C14	C15	0.5°	0.1°
C10	C14	CL	C15	179.8°	179.9°
C10	C14	C15	C11	0.3°	0.1°
C10	C14	C15	H15	179.7°	179.9°
H10	C10	C14	CL	0.6°	0.1°
H10	C10	C14	C15	179.6°	180.0°
CL	C14	C15	C11	179.5°	180.0°
CL	C14	C15	H15	0.4°	0.0°
C14	C15	C11	H15	179.9°	180.0°
C14	C15	C11	H11	179.9°	180.0°
H15	C15	C11	H11	0.0°	0.1°

Definition date:	2003-01-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NFU