CUB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3Z	C2Z	sing	0.00Å	1.36Å
C3Z	C4Z	sing	0.00Å	1.61Å
C3Z	H31	sing	0.00Å	1.12Å
C3Z	H32	sing	0.00Å	1.12Å
C2Z	C1Z	sing	0.00Å	1.40Å
C2Z	H21	sing	0.00Å	1.11Å
C2Z	H22	sing	0.00Å	1.11Å
C1Z	NZ	sing	0.00Å	1.45Å
C1Z	H11	sing	0.00Å	1.11Å
C1Z	H12	sing	0.00Å	1.12Å
NZ	CU	sing	0.00Å	1.82Å
NZ	CZ	sing	0.00Å	1.32Å
MO	S	sing	0.00Å	2.36Å
MO	CZ	sing	0.00Å	2.59Å
MO	OM2	sing	0.00Å	1.99Å
MO	OM1	doub	0.00Å	1.66Å
S	CZ	sing	0.00Å	1.71Å
CZ	OM2	sing	0.00Å	1.27Å
C4Z	H41	sing	0.00Å	1.11Å
C4Z	H42	sing	0.00Å	1.11Å
C4Z	H43	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2Z	C3Z	C4Z	118.9°	90.0°
C2Z	C3Z	H31	108.8°	90.0°
C2Z	C3Z	H32	108.8°	90.0°
C3Z	C2Z	C1Z	119.3°	90.0°
C3Z	C2Z	H21	108.7°	90.0°
C3Z	C2Z	H22	108.7°	90.0°
C4Z	C3Z	H31	108.9°	90.0°
C4Z	C3Z	H32	108.8°	90.0°
C3Z	C4Z	H41	118.9°	90.0°
C3Z	C4Z	H42	108.8°	90.0°
C3Z	C4Z	H43	108.8°	90.0°
H31	C3Z	H32	101.2°	90.0°
C1Z	C2Z	H21	108.6°	90.0°
C1Z	C2Z	H22	108.6°	90.0°
C2Z	C1Z	NZ	110.2°	90.0°
C2Z	C1Z	H11	112.0°	90.0°
C2Z	C1Z	H12	112.0°	90.0°
H21	C2Z	H22	101.4°	90.0°
NZ	C1Z	H11	111.9°	90.0°
NZ	C1Z	H12	111.9°	90.0°
C1Z	NZ	CU	121.2°	90.0°
C1Z	NZ	CZ	116.0°	90.0°
H11	C1Z	H12	98.5°	90.0°
CU	NZ	CZ	117.4°	90.0°
NZ	CZ	MO	174.4°	90.0°
NZ	CZ	S	120.9°	90.0°
NZ	CZ	OM2	128.1°	90.0°
S	MO	CZ	40.1°	90.0°
S	MO	OM2	68.8°	90.0°
S	MO	OM1	113.1°	90.0°
MO	S	CZ	77.3°	90.0°
CZ	MO	OM2	28.6°	90.0°
CZ	MO	OM1	113.1°	90.0°
MO	CZ	S	62.5°	90.0°
MO	CZ	OM2	48.4°	90.0°
OM2	MO	OM1	106.3°	90.0°
MO	OM2	CZ	103.0°	90.0°
S	CZ	OM2	110.9°	90.0°
H41	C4Z	H42	108.8°	90.0°
H41	C4Z	H43	108.8°	90.0°
H42	C4Z	H43	101.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2Z	C3Z	C4Z	H31	125.2°	90.0°
C2Z	C3Z	C4Z	H32	125.2°	90.0°
C2Z	C3Z	H31	H32	114.5°	90.0°
C3Z	C2Z	C1Z	H21	125.3°	90.0°
C3Z	C2Z	C1Z	H22	125.2°	90.0°
C3Z	C2Z	H21	H22	114.4°	90.0°
C3Z	C2Z	C1Z	NZ	53.7°	90.0°
C3Z	C2Z	C1Z	H11	71.5°	90.0°
C3Z	C2Z	C1Z	H12	179.0°	90.0°
C2Z	C3Z	C4Z	H41	180.0°	90.0°
C2Z	C3Z	C4Z	H42	54.7°	90.0°
C2Z	C3Z	C4Z	H43	54.8°	90.0°
C4Z	C3Z	H31	H32	114.6°	90.0°
C4Z	C3Z	C2Z	C1Z	165.2°	90.0°
C4Z	C3Z	C2Z	H21	39.9°	90.0°
C4Z	C3Z	C2Z	H22	69.6°	90.0°
C3Z	C4Z	H41	H42	125.3°	90.0°
C3Z	C4Z	H41	H43	125.2°	90.0°
C3Z	C4Z	H42	H43	114.5°	90.0°
H31	C3Z	C2Z	C1Z	39.9°	90.0°
H31	C3Z	C2Z	H21	85.4°	90.0°
H31	C3Z	C2Z	H22	165.1°	90.0°
H31	C3Z	C4Z	H41	54.7°	90.0°
H31	C3Z	C4Z	H42	180.0°	90.0°
H31	C3Z	C4Z	H43	70.5°	90.0°
H32	C3Z	C2Z	C1Z	69.6°	90.0°
H32	C3Z	C2Z	H21	165.2°	90.0°
H32	C3Z	C2Z	H22	55.6°	90.0°
H32	C3Z	C4Z	H41	54.8°	90.0°
H32	C3Z	C4Z	H42	70.5°	90.0°
H32	C3Z	C4Z	H43	180.0°	90.0°
C1Z	C2Z	H21	H22	114.3°	90.0°
C2Z	C1Z	NZ	H11	125.3°	90.0°
C2Z	C1Z	NZ	H12	125.3°	90.0°
C2Z	C1Z	H11	H12	117.9°	90.0°
C2Z	C1Z	NZ	CU	135.4°	90.0°
C2Z	C1Z	NZ	CZ	71.2°	90.0°
H21	C2Z	C1Z	NZ	179.0°	90.0°
H21	C2Z	C1Z	H11	53.8°	90.0°
H21	C2Z	C1Z	H12	55.8°	90.0°
H22	C2Z	C1Z	NZ	71.5°	90.0°
H22	C2Z	C1Z	H11	163.3°	90.0°
H22	C2Z	C1Z	H12	53.7°	90.0°
NZ	C1Z	H11	H12	117.8°	90.0°
C1Z	NZ	CU	CZ	153.0°	90.0°
C1Z	NZ	CZ	MO	50.3°	90.0°
C1Z	NZ	CZ	S	176.0°	90.0°
C1Z	NZ	CZ	OM2	1.7°	90.0°
H11	C1Z	NZ	CU	10.1°	90.0°
H11	C1Z	NZ	CZ	163.5°	90.0°
H12	C1Z	NZ	CU	99.3°	90.0°
H12	C1Z	NZ	CZ	54.0°	90.0°
CU	NZ	CZ	MO	155.2°	90.0°
CU	NZ	CZ	S	29.5°	90.0°
CU	NZ	CZ	OM2	156.1°	90.0°
NZ	CZ	S	MO	174.8°	90.0°
NZ	CZ	MO	OM2	52.3°	90.0°
NZ	CZ	MO	OM1	29.3°	90.0°
NZ	CZ	S	OM2	175.3°	90.0°
S	MO	CZ	OM2	179.5°	90.0°
S	MO	CZ	OM1	98.9°	90.0°
S	MO	OM2	OM1	109.0°	90.0°
CZ	MO	OM2	OM1	108.6°	90.0°
H41	C4Z	H42	H43	114.6°	90.0°

Definition date:	2002-11-15
Last modified:	2011-06-07
Release status:	REL
Processing site:	RCSB
Derived from:	1N62