CP1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8'	C7'	sing	1.51Å	1.53Å
C8'	N1	sing	1.46Å	1.48Å
C8'	H8'1	sing	1.09Å	1.12Å
C8'	H8'2	sing	1.09Å	1.12Å
C7'	O7'	doub	1.21Å	1.24Å
C7'	N4'	sing	1.35Å	1.34Å
C5'	C'	sing	1.51Å	1.53Å
C5'	N4'	sing	1.46Å	1.45Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C'	O1'	doub	1.21Å	1.23Å
C'	OXT	sing	1.34Å	1.36Å
OXT	HXT	sing	0.97Å	0.95Å
N4'	C3'	sing	1.46Å	1.44Å
C3'	C2'	sing	1.53Å	1.54Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.12Å
C2'	N1'	sing	1.47Å	1.47Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.11Å
N1'	C1'	sing	1.47Å	1.50Å
N1'	H1'	sing	1.01Å	1.02Å
C1'	H1'1	sing	1.09Å	1.11Å
C1'	H1'2	sing	1.09Å	1.11Å
C1'	H1'3	sing	1.09Å	1.11Å
N1	C2	sing	1.35Å	1.41Å
N1	C6	sing	1.36Å	1.36Å
C2	N3	sing	1.33Å	1.36Å
C2	O2	doub	1.22Å	1.23Å
N3	C4	doub	1.33Å	1.33Å
C4	C5	sing	1.41Å	1.42Å
C4	N4	sing	1.38Å	1.33Å
C5	C6	doub	1.35Å	1.35Å
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
N4	HN41	sing	0.97Å	1.02Å
N4	HN42	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7'	C8'	N1	110.7°	109.5°
C7'	C8'	H8'1	111.8°	109.5°
C7'	C8'	H8'2	111.8°	109.4°
C8'	C7'	O7'	119.8°	120.0°
C8'	C7'	N4'	121.9°	120.0°
N1	C8'	H8'1	111.8°	109.5°
N1	C8'	H8'2	111.8°	109.4°
C8'	N1	C2	116.2°	119.8°
C8'	N1	C6	123.8°	119.8°
H8'1	C8'	H8'2	98.6°	109.5°
O7'	C7'	N4'	118.4°	120.0°
C7'	N4'	C5'	121.0°	120.0°
C7'	N4'	C3'	126.6°	120.0°
C'	C5'	N4'	115.4°	109.5°
C'	C5'	H5'1	110.0°	109.5°
C'	C5'	H5'2	110.1°	109.4°
C5'	C'	O1'	117.5°	120.0°
C5'	C'	OXT	119.8°	120.0°
N4'	C5'	H5'1	110.0°	109.5°
N4'	C5'	H5'2	110.0°	109.5°
C5'	N4'	C3'	112.4°	120.0°
H5'1	C5'	H5'2	100.2°	109.5°
O1'	C'	OXT	122.6°	120.0°
C'	OXT	HXT	119.8°	120.0°
N4'	C3'	C2'	107.5°	109.5°
N4'	C3'	H3'1	113.0°	109.5°
N4'	C3'	H3'2	113.0°	109.5°
C2'	C3'	H3'1	112.9°	109.4°
C2'	C3'	H3'2	112.9°	109.5°
C3'	C2'	N1'	111.0°	109.5°
C3'	C2'	H2'1	111.6°	109.5°
C3'	C2'	H2'2	111.6°	109.4°
H3'1	C3'	H3'2	97.5°	109.4°
N1'	C2'	H2'1	111.7°	109.5°
N1'	C2'	H2'2	111.7°	109.4°
C2'	N1'	C1'	113.4°	106.7°
C2'	N1'	H1'	110.8°	106.7°
H2'1	C2'	H2'2	98.8°	109.5°
C1'	N1'	H1'	110.8°	106.7°
N1'	C1'	H1'1	113.4°	109.6°
N1'	C1'	H1'2	110.7°	109.5°
N1'	C1'	H1'3	110.7°	109.5°
H1'1	C1'	H1'2	110.7°	109.5°
H1'1	C1'	H1'3	110.8°	109.4°
H1'2	C1'	H1'3	99.6°	109.4°
C2	N1	C6	120.0°	120.3°
N1	C2	N3	119.1°	121.1°
N1	C2	O2	121.3°	119.5°
N1	C6	C5	121.2°	119.3°
N1	C6	H6	119.9°	120.4°
N3	C2	O2	119.6°	119.5°
C2	N3	C4	120.3°	120.7°
N3	C4	C5	121.9°	119.6°
N3	C4	N4	118.6°	120.2°
C5	C4	N4	119.4°	120.2°
C4	C5	C6	117.5°	119.0°
C4	C5	H5	123.9°	120.5°
C4	N4	HN41	118.6°	120.0°
C4	N4	HN42	108.9°	120.0°
C6	C5	H5	118.6°	120.5°
C5	C6	H6	118.9°	120.3°
HN41	N4	HN42	108.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7'	C8'	N1	H8'1	125.3°	120.1°
C7'	C8'	N1	H8'2	125.3°	120.0°
C7'	C8'	H8'1	H8'2	117.6°	120.0°
C8'	C7'	O7'	N4'	179.8°	179.9°
C8'	C7'	N4'	C5'	178.7°	5.3°
C8'	C7'	N4'	C3'	1.9°	174.8°
C7'	C8'	N1	C2	86.9°	90.2°
C7'	C8'	N1	C6	92.0°	90.0°
N1	C8'	H8'1	H8'2	117.7°	120.0°
N1	C8'	C7'	O7'	3.4°	5.2°
N1	C8'	C7'	N4'	176.4°	174.9°
C8'	N1	C2	C6	178.9°	179.7°
C8'	N1	C2	N3	179.3°	179.7°
C8'	N1	C2	O2	0.7°	0.3°
C8'	N1	C6	C5	179.3°	180.0°
C8'	N1	C6	H6	0.8°	0.0°
H8'1	C8'	C7'	O7'	121.9°	114.8°
H8'1	C8'	C7'	N4'	58.3°	65.1°
H8'1	C8'	N1	C2	38.4°	149.7°
H8'1	C8'	N1	C6	142.7°	30.0°
H8'2	C8'	C7'	O7'	128.7°	125.2°
H8'2	C8'	C7'	N4'	51.1°	54.9°
H8'2	C8'	N1	C2	147.8°	29.7°
H8'2	C8'	N1	C6	33.3°	150.0°
O7'	C7'	N4'	C5'	1.2°	174.6°
O7'	C7'	N4'	C3'	178.2°	5.3°
C7'	N4'	C5'	C'	81.5°	94.8°
C7'	N4'	C5'	C3'	179.5°	180.0°
C7'	N4'	C5'	H5'1	153.3°	25.2°
C7'	N4'	C5'	H5'2	43.8°	145.3°
C7'	N4'	C3'	C2'	120.0°	90.0°
C7'	N4'	C3'	H3'1	5.3°	150.0°
C7'	N4'	C3'	H3'2	114.8°	30.1°
C'	C5'	N4'	H5'1	125.2°	120.0°
C'	C5'	N4'	H5'2	125.3°	119.9°
C'	C5'	H5'1	H5'2	115.9°	119.9°
C5'	C'	O1'	OXT	177.0°	179.9°
C5'	C'	OXT	HXT	180.0°	180.0°
C'	C5'	N4'	C3'	98.0°	85.2°
N4'	C5'	H5'1	H5'2	115.8°	120.0°
N4'	C5'	C'	O1'	164.2°	5.1°
N4'	C5'	C'	OXT	12.9°	175.0°
C5'	N4'	C3'	C2'	60.6°	90.0°
C5'	N4'	C3'	H3'1	174.1°	30.0°
C5'	N4'	C3'	H3'2	64.7°	150.0°
H5'1	C5'	C'	O1'	70.6°	114.9°
H5'1	C5'	C'	OXT	112.3°	65.0°
H5'1	C5'	N4'	C3'	27.2°	154.7°
H5'2	C5'	C'	O1'	38.9°	125.1°
H5'2	C5'	C'	OXT	138.2°	55.0°
H5'2	C5'	N4'	C3'	136.7°	34.7°
O1'	C'	OXT	HXT	3.0°	0.1°
N4'	C3'	C2'	H3'1	125.3°	120.1°
N4'	C3'	C2'	H3'2	125.3°	120.0°
N4'	C3'	H3'1	H3'2	118.9°	120.0°
N4'	C3'	C2'	N1'	67.5°	180.0°
N4'	C3'	C2'	H2'1	167.3°	60.0°
N4'	C3'	C2'	H2'2	57.8°	60.0°
C2'	C3'	H3'1	H3'2	118.8°	120.0°
C3'	C2'	N1'	H2'1	125.2°	120.0°
C3'	C2'	N1'	H2'2	125.3°	120.0°
C3'	C2'	H2'1	H2'2	117.5°	120.0°
C3'	C2'	N1'	C1'	112.6°	180.0°
C3'	C2'	N1'	H1'	122.1°	66.2°
H3'1	C3'	C2'	N1'	57.9°	59.9°
H3'1	C3'	C2'	H2'1	67.4°	180.0°
H3'1	C3'	C2'	H2'2	176.8°	60.0°
H3'2	C3'	C2'	N1'	167.2°	60.0°
H3'2	C3'	C2'	H2'1	42.0°	60.1°
H3'2	C3'	C2'	H2'2	67.5°	179.9°
N1'	C2'	H2'1	H2'2	117.6°	120.0°
C2'	N1'	C1'	H1'	125.3°	113.8°
C2'	N1'	C1'	H1'1	179.9°	180.0°
C2'	N1'	C1'	H1'2	54.8°	60.0°
C2'	N1'	C1'	H1'3	54.7°	60.0°
H2'1	C2'	N1'	C1'	122.2°	60.0°
H2'1	C2'	N1'	H1'	3.1°	173.8°
H2'2	C2'	N1'	C1'	12.7°	60.0°
H2'2	C2'	N1'	H1'	112.6°	53.7°
N1'	C1'	H1'1	H1'2	125.2°	120.0°
N1'	C1'	H1'1	H1'3	125.3°	120.1°
N1'	C1'	H1'2	H1'3	116.6°	120.0°
H1'	N1'	C1'	H1'1	54.7°	66.2°
H1'	N1'	C1'	H1'2	70.5°	53.8°
H1'	N1'	C1'	H1'3	180.0°	173.8°
H1'1	C1'	H1'2	H1'3	116.7°	119.9°
N1	C2	N3	O2	180.0°	179.4°
N1	C2	N3	C4	0.3°	0.7°
C2	N1	C6	C5	0.4°	0.2°
C2	N1	C6	H6	179.6°	179.7°
C6	N1	C2	N3	0.4°	0.6°
C6	N1	C2	O2	179.6°	180.0°
N1	C6	C5	C4	0.4°	0.0°
N1	C6	C5	H6	180.0°	180.0°
N1	C6	C5	H5	179.6°	179.9°
C2	N3	C4	C5	0.3°	0.4°
C2	N3	C4	N4	179.8°	179.7°
O2	C2	N3	C4	179.7°	179.9°
N3	C4	C5	N4	179.5°	179.8°
N3	C4	C5	C6	0.3°	0.1°
N3	C4	C5	H5	179.7°	179.8°
N3	C4	N4	HN41	180.0°	0.1°
N3	C4	N4	HN42	54.7°	179.9°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	N4	HN41	0.5°	180.0°
C5	C4	N4	HN42	124.8°	0.0°
N4	C4	C5	C6	179.8°	179.9°
N4	C4	C5	H5	0.2°	0.0°
C4	N4	HN41	HN42	125.2°	180.0°
H5	C5	C6	H6	0.4°	0.1°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1QPY