CK7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N7A	C3A	sing	1.38Å	1.49Å
N7A	H7A1	sing	0.97Å	1.02Å
N7A	H7A2	sing	0.97Å	1.02Å
C3A	N2A	doub	1.32Å	1.35Å	Aromatic
C3A	S4A	sing	1.74Å	1.67Å	Aromatic
N2A	C1A	sing	1.31Å	1.38Å	Aromatic
C1A	C6A	sing	1.51Å	1.50Å
C1A	C5A	doub	1.37Å	1.53Å	Aromatic
C6A	H6A1	sing	1.09Å	1.12Å
C6A	H6A2	sing	1.09Å	1.12Å
C6A	H6A3	sing	1.09Å	1.11Å
S4A	C5A	sing	1.79Å	1.66Å	Aromatic
C5A	C4	sing	1.47Å	1.49Å	Aromatic
C4	N3	doub	1.33Å	1.37Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
N3	C2	sing	1.32Å	1.33Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	N1	sing	1.33Å	1.37Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
N1	C2	doub	1.33Å	1.32Å	Aromatic
C2	N7	sing	1.39Å	1.32Å
N7	C1B	sing	1.40Å	1.46Å
N7	HN7	sing	0.97Å	1.02Å
C1B	C6B	doub	1.39Å	1.42Å	Aromatic
C1B	C2B	sing	1.39Å	1.43Å	Aromatic
C6B	C5B	sing	1.38Å	1.43Å	Aromatic
C6B	H6B	sing	1.08Å	1.10Å
C2B	C3B	doub	1.38Å	1.43Å	Aromatic
C2B	H2B	sing	1.08Å	1.10Å
C3B	N7B	sing	1.48Å	1.40Å
C3B	C4B	sing	1.38Å	1.40Å	Aromatic
N7B	O8B	sing	1.22Å	1.25Å
N7B	O9B	doub	1.22Å	1.25Å
C4B	C5B	doub	1.38Å	1.42Å	Aromatic
C4B	H4B	sing	1.08Å	1.10Å
C5B	H5B	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3A	N7A	H7A1	103.4°	120.0°
C3A	N7A	H7A2	135.0°	120.0°
N7A	C3A	N2A	135.0°	128.8°
N7A	C3A	S4A	109.8°	128.8°
H7A1	N7A	H7A2	103.5°	119.9°
N2A	C3A	S4A	115.2°	102.3°
C3A	N2A	C1A	114.3°	121.4°
C3A	S4A	C5A	91.6°	97.5°
N2A	C1A	C6A	121.5°	121.0°
N2A	C1A	C5A	106.6°	118.2°
C6A	C1A	C5A	131.7°	120.9°
C1A	C6A	H6A1	107.9°	109.5°
C1A	C6A	H6A2	121.6°	109.5°
C1A	C6A	H6A3	107.9°	109.4°
C1A	C5A	S4A	112.1°	100.6°
C1A	C5A	C4	133.9°	129.7°
H6A1	C6A	H6A2	107.9°	109.5°
H6A1	C6A	H6A3	101.9°	109.4°
H6A2	C6A	H6A3	107.9°	109.4°
S4A	C5A	C4	111.4°	129.7°
C5A	C4	N3	117.1°	120.6°
C5A	C4	C5	121.5°	120.6°
N3	C4	C5	121.3°	118.9°
C4	N3	C2	121.5°	120.6°
C4	C5	C6	115.3°	118.5°
C4	C5	H5	123.0°	120.7°
N3	C2	N1	117.7°	121.7°
N3	C2	N7	127.1°	119.2°
C6	C5	H5	121.7°	120.8°
C5	C6	N1	120.7°	119.3°
C5	C6	H6	119.6°	120.4°
N1	C6	H6	119.7°	120.3°
C6	N1	C2	123.3°	121.0°
N1	C2	N7	115.2°	119.1°
C2	N7	C1B	120.2°	120.0°
C2	N7	HN7	108.3°	120.0°
C1B	N7	HN7	108.4°	120.0°
N7	C1B	C6B	120.7°	120.0°
N7	C1B	C2B	123.1°	120.1°
C6B	C1B	C2B	116.1°	119.9°
C1B	C6B	C5B	120.4°	119.9°
C1B	C6B	H6B	119.5°	120.1°
C1B	C2B	C3B	123.8°	119.9°
C1B	C2B	H2B	118.1°	120.0°
C5B	C6B	H6B	120.1°	120.1°
C6B	C5B	C4B	121.9°	120.1°
C6B	C5B	H5B	119.6°	119.9°
C3B	C2B	H2B	118.2°	120.0°
C2B	C3B	N7B	126.2°	120.0°
C2B	C3B	C4B	118.6°	120.1°
N7B	C3B	C4B	115.3°	120.0°
C3B	N7B	O8B	120.6°	120.0°
C3B	N7B	O9B	119.7°	120.0°
C3B	C4B	C5B	119.2°	120.1°
C3B	C4B	H4B	119.8°	119.9°
O8B	N7B	O9B	119.7°	119.9°
C5B	C4B	H4B	120.9°	119.9°
C4B	C5B	H5B	118.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3A	N7A	H7A1	H7A2	143.6°	179.9°
N7A	C3A	N2A	S4A	177.8°	179.9°
N7A	C3A	N2A	C1A	179.8°	180.0°
N7A	C3A	S4A	C5A	177.0°	179.9°
H7A1	N7A	C3A	N2A	54.7°	0.0°
H7A1	N7A	C3A	S4A	123.2°	180.0°
H7A2	N7A	C3A	N2A	180.0°	180.0°
H7A2	N7A	C3A	S4A	2.1°	0.1°
C3A	N2A	C1A	C6A	179.4°	180.0°
C3A	N2A	C1A	C5A	5.3°	0.2°
N2A	C3A	S4A	C5A	1.4°	0.2°
S4A	C3A	N2A	C1A	2.4°	0.1°
C3A	S4A	C5A	C1A	4.4°	0.2°
C3A	S4A	C5A	C4	168.6°	179.9°
N2A	C1A	C6A	C5A	174.1°	179.8°
N2A	C1A	C6A	H6A1	54.7°	89.9°
N2A	C1A	C6A	H6A2	180.0°	150.0°
N2A	C1A	C6A	H6A3	54.7°	30.0°
N2A	C1A	C5A	S4A	6.2°	0.3°
N2A	C1A	C5A	C4	165.7°	179.9°
C1A	C6A	H6A1	H6A2	133.0°	120.1°
C1A	C6A	H6A1	H6A3	113.5°	120.0°
C1A	C6A	H6A2	H6A3	125.3°	119.9°
C6A	C1A	C5A	S4A	179.0°	179.9°
C6A	C1A	C5A	C4	19.6°	0.1°
C5A	C1A	C6A	H6A1	131.2°	90.2°
C5A	C1A	C6A	H6A2	5.9°	29.8°
C5A	C1A	C6A	H6A3	119.4°	149.8°
C1A	C5A	S4A	C4	164.3°	179.8°
C1A	C5A	C4	N3	171.6°	0.5°
C1A	C5A	C4	C5	9.7°	179.7°
H6A1	C6A	H6A2	H6A3	109.4°	120.0°
S4A	C5A	C4	N3	12.0°	179.7°
S4A	C5A	C4	C5	169.3°	0.1°
C5A	C4	N3	C5	178.7°	179.8°
C5A	C4	N3	C2	179.0°	179.7°
C5A	C4	C5	C6	177.8°	180.0°
C5A	C4	C5	H5	2.2°	0.0°
N3	C4	C5	C6	3.6°	0.2°
N3	C4	C5	H5	176.5°	179.8°
C4	N3	C2	N1	1.3°	0.5°
C4	N3	C2	N7	178.8°	179.8°
C5	C4	N3	C2	2.2°	0.5°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	N1	1.6°	0.1°
C4	C5	C6	H6	178.3°	180.0°
N3	C2	N1	C6	3.3°	0.3°
N3	C2	N1	N7	177.8°	179.7°
N3	C2	N7	C1B	24.3°	174.7°
N3	C2	N7	HN7	149.5°	5.2°
C5	C6	N1	H6	180.0°	179.9°
C5	C6	N1	C2	1.8°	0.0°
H5	C5	C6	N1	178.4°	180.0°
H5	C5	C6	H6	1.6°	0.1°
C6	N1	C2	N7	178.9°	180.0°
H6	C6	N1	C2	178.2°	180.0°
N1	C2	N7	C1B	153.3°	5.5°
N1	C2	N7	HN7	28.0°	174.5°
C2	N7	C1B	HN7	125.2°	180.0°
C2	N7	C1B	C6B	160.7°	146.4°
C2	N7	C1B	C2B	16.7°	33.9°
N7	C1B	C6B	C2B	177.5°	179.7°
N7	C1B	C6B	C5B	177.3°	180.0°
N7	C1B	C6B	H6B	2.7°	0.0°
N7	C1B	C2B	C3B	177.8°	179.7°
N7	C1B	C2B	H2B	2.2°	0.3°
HN7	N7	C1B	C6B	35.4°	33.6°
HN7	N7	C1B	C2B	141.9°	146.1°
C1B	C6B	C5B	H6B	180.0°	180.0°
C6B	C1B	C2B	C3B	0.3°	0.6°
C6B	C1B	C2B	H2B	179.7°	180.0°
C1B	C6B	C5B	C4B	1.4°	0.0°
C1B	C6B	C5B	H5B	178.6°	180.0°
C2B	C1B	C6B	C5B	0.2°	0.3°
C2B	C1B	C6B	H6B	179.8°	179.7°
C1B	C2B	C3B	H2B	180.0°	179.4°
C1B	C2B	C3B	N7B	179.7°	179.7°
C1B	C2B	C3B	C4B	0.3°	0.6°
C6B	C5B	C4B	C3B	2.0°	0.0°
C6B	C5B	C4B	H5B	180.0°	180.0°
C6B	C5B	C4B	H4B	178.0°	180.0°
H6B	C6B	C5B	C4B	178.6°	180.0°
H6B	C6B	C5B	H5B	1.4°	0.1°
C2B	C3B	N7B	C4B	180.0°	179.7°
C2B	C3B	N7B	O8B	96.1°	179.7°
C2B	C3B	N7B	O9B	83.7°	0.3°
C2B	C3B	C4B	C5B	1.5°	0.3°
C2B	C3B	C4B	H4B	178.5°	179.7°
H2B	C2B	C3B	N7B	0.3°	0.3°
H2B	C2B	C3B	C4B	179.7°	180.0°
C3B	N7B	O8B	O9B	179.8°	180.0°
N7B	C3B	C4B	C5B	178.5°	180.0°
N7B	C3B	C4B	H4B	1.5°	0.0°
C4B	C3B	N7B	O8B	83.9°	0.0°
C4B	C3B	N7B	O9B	96.3°	180.0°
C3B	C4B	C5B	H4B	180.0°	180.0°
C3B	C4B	C5B	H5B	178.0°	179.9°
H4B	C4B	C5B	H5B	2.0°	0.1°

Definition date:	2003-07-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PXO