7DM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	O26	doub	1.21Å	1.22Å
C25	C27	sing	1.48Å	1.49Å
C27	C28	sing	1.40Å	1.41Å	Aromatic
C27	C32	doub	1.39Å	1.40Å	Aromatic
C28	C29	doub	1.36Å	1.37Å	Aromatic
C29	C30	sing	1.39Å	1.40Å	Aromatic
C30	C31	doub	1.41Å	1.42Å	Aromatic
C30	N37	sing	1.38Å	1.39Å
C31	C32	sing	1.39Å	1.40Å	Aromatic
C31	C33	sing	1.47Å	1.47Å
C33	C34	doub	1.37Å	1.37Å
C33	O38	sing	1.35Å	1.36Å
C34	C35	sing	1.40Å	1.42Å
C35	O36	doub	1.22Å	1.23Å
C35	N37	sing	1.34Å	1.36Å
C28	H28	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
N37	H37	sing	0.97Å	1.00Å
C34	H34	sing	1.08Å	1.08Å
O38	H38	sing	0.97Å	0.95Å
C25	OXT	sing	1.35Å	1.35Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O26	C25	C27	120.0°	120.0°
O26	C25	OXT	120.7°	120.0°
C25	C27	C28	119.8°	119.9°
C25	C27	C32	120.7°	120.0°
C27	C25	OXT	119.3°	120.0°
C28	C27	C32	119.4°	120.1°
C27	C28	C29	121.7°	120.6°
C27	C28	H28	119.1°	119.7°
C27	C32	C31	119.4°	119.4°
C27	C32	H32	120.3°	120.3°
C28	C29	C30	120.0°	120.2°
C29	C28	H28	119.2°	119.6°
C28	C29	H29	120.0°	119.9°
C29	C30	C31	118.9°	119.7°
C29	C30	N37	121.6°	120.7°
C30	C29	H29	120.0°	119.9°
C31	C30	N37	119.4°	119.5°
C30	C31	C32	120.6°	120.0°
C30	C31	C33	118.9°	118.9°
C30	N37	C35	121.5°	121.2°
C30	N37	H37	119.3°	119.4°
C32	C31	C33	120.5°	121.1°
C31	C32	H32	120.4°	120.3°
C31	C33	C34	118.7°	118.3°
C31	C33	O38	119.1°	120.9°
C34	C33	O38	122.3°	120.8°
C33	C34	C35	120.3°	120.1°
C33	C34	H34	119.9°	120.0°
C33	O38	H38	109.5°	114.1°
C34	C35	O36	119.6°	119.1°
C34	C35	N37	121.2°	121.9°
C35	C34	H34	119.9°	119.9°
O36	C35	N37	119.2°	119.1°
C35	N37	H37	119.3°	119.3°
C25	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O26	C25	C27	OXT	176.2°	179.7°
O26	C25	C27	C28	167.2°	180.0°
O26	C25	C27	C32	9.9°	0.3°
O26	C25	OXT	HXT	0.0°	0.0°
C25	C27	C28	C32	177.2°	179.7°
C25	C27	C28	C29	178.5°	180.0°
C25	C27	C32	C31	178.6°	179.7°
C25	C27	C28	H28	1.6°	0.0°
C25	C27	C32	H32	1.4°	0.0°
C27	C25	OXT	HXT	176.2°	179.7°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	C30	0.2°	0.0°
C28	C27	C32	C31	1.4°	0.6°
C28	C27	C32	H32	178.6°	179.7°
C27	C28	C29	H29	179.8°	179.9°
C28	C27	C25	OXT	9.0°	0.3°
C32	C27	C28	C29	1.3°	0.3°
C27	C32	C31	C30	0.5°	0.6°
C27	C32	C31	H32	180.0°	179.7°
C27	C32	C31	C33	179.9°	179.7°
C32	C27	C28	H28	178.7°	179.8°
C32	C27	C25	OXT	173.8°	180.0°
C28	C29	C30	H29	180.0°	179.9°
C28	C29	C30	C31	0.8°	0.0°
C28	C29	C30	N37	178.4°	180.0°
C29	C30	C31	N37	177.7°	180.0°
C29	C30	C31	C32	0.6°	0.3°
C29	C30	C31	C33	178.8°	180.0°
C29	C30	N37	C35	176.4°	180.0°
C30	C29	C28	H28	179.9°	180.0°
C29	C30	N37	H37	3.5°	0.1°
C30	C31	C32	C33	179.4°	179.7°
C30	C31	C33	C34	2.4°	0.0°
C30	C31	C33	O38	177.8°	180.0°
C31	C30	N37	C35	1.2°	0.0°
C30	C31	C32	H32	179.5°	179.7°
C31	C30	C29	H29	179.2°	179.9°
C31	C30	N37	H37	178.8°	180.0°
N37	C30	C31	C32	178.3°	179.8°
N37	C30	C31	C33	1.2°	0.0°
C30	N37	C35	C34	2.3°	0.0°
C30	N37	C35	O36	178.8°	180.0°
C30	N37	C35	H37	180.0°	179.9°
N37	C30	C29	H29	1.6°	0.1°
C32	C31	C33	C34	177.1°	179.7°
C32	C31	C33	O38	2.7°	0.2°
C31	C33	C34	O38	179.8°	180.0°
C31	C33	C34	C35	1.3°	0.0°
C33	C31	C32	H32	0.1°	0.0°
C31	C33	C34	H34	178.7°	180.0°
C31	C33	O38	H38	180.0°	180.0°
C33	C34	C35	H34	180.0°	179.9°
C33	C34	C35	O36	179.9°	179.9°
C33	C34	C35	N37	1.0°	0.1°
C34	C33	O38	H38	0.2°	0.1°
O38	C33	C34	C35	178.9°	180.0°
O38	C33	C34	H34	1.1°	0.1°
C34	C35	O36	N37	178.9°	180.0°
C34	C35	N37	H37	177.7°	179.9°
O36	C35	N37	H37	1.2°	0.1°
O36	C35	C34	H34	0.1°	0.0°
N37	C35	C34	H34	179.0°	180.0°
H28	C28	C29	H29	0.2°	0.1°

Release date:	2015-02-11
Definition date:	2014-02-26
Last modified:	2015-02-06
Release status:	REL
Processing site:	EBI
Derived from:	4CRA