E29

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	O25	doub	1.22Å	1.22Å
C24	C26	sing	1.46Å	1.49Å
C26	C27	doub	1.35Å	1.34Å
C27	C28	sing	1.47Å	1.48Å
C28	C29	sing	1.40Å	1.39Å	Aromatic
C28	C33	doub	1.40Å	1.39Å	Aromatic
C29	C30	doub	1.38Å	1.39Å	Aromatic
C30	C31	sing	1.39Å	1.38Å	Aromatic
C30	CL	sing	1.74Å	1.74Å
C31	C32	doub	1.38Å	1.38Å	Aromatic
C32	C33	sing	1.39Å	1.38Å	Aromatic
C33	N34	sing	1.40Å	1.40Å
N34	C35	sing	1.35Å	1.36Å	Aromatic
N34	N38	sing	1.41Å	1.34Å	Aromatic
C35	N36	doub	1.31Å	1.31Å	Aromatic
N36	N37	sing	1.28Å	1.37Å	Aromatic
N37	N38	doub	1.29Å	1.33Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
C31	H31	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å
C35	H35	sing	1.08Å	1.08Å
C24	OXT	sing	1.35Å	1.37Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O25	C24	C26	118.6°	120.0°
O25	C24	OXT	122.1°	120.0°
C24	C26	C27	123.1°	120.0°
C24	C26	H26	118.5°	120.1°
C26	C24	OXT	119.3°	120.0°
C26	C27	C28	118.0°	120.0°
C27	C26	H26	118.5°	120.0°
C26	C27	H27	121.0°	120.0°
C27	C28	C29	120.4°	120.2°
C27	C28	C33	122.6°	120.2°
C28	C27	H27	121.0°	120.0°
C29	C28	C33	117.0°	119.6°
C28	C29	C30	121.8°	119.9°
C28	C29	H29	119.1°	120.0°
C28	C33	C32	122.0°	119.7°
C28	C33	N34	120.7°	120.1°
C29	C30	C31	119.7°	120.3°
C29	C30	CL	120.7°	119.9°
C30	C29	H29	119.1°	120.1°
C31	C30	CL	119.5°	119.9°
C30	C31	C32	119.5°	120.4°
C30	C31	H31	120.3°	119.8°
C31	C32	C33	119.9°	120.2°
C32	C31	H31	120.3°	119.8°
C31	C32	H32	120.0°	120.0°
C32	C33	N34	117.3°	120.2°
C33	C32	H32	120.1°	119.9°
C33	N34	C35	127.8°	127.4°
C33	N34	N38	123.3°	127.4°
C35	N34	N38	108.9°	105.2°
N34	C35	N36	108.6°	107.3°
N34	C35	H35	125.7°	126.3°
N34	N38	N37	106.0°	106.6°
C35	N36	N37	106.1°	110.7°
N36	C35	H35	125.7°	126.4°
N36	N37	N38	110.4°	110.2°
C24	OXT	HXT	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	C24	C26	OXT	178.6°	179.7°
O25	C24	C26	C27	173.8°	0.1°
O25	C24	C26	H26	6.2°	180.0°
O25	C24	OXT	HXT	0.0°	0.0°
C24	C26	C27	H26	180.0°	179.9°
C24	C26	C27	C28	179.9°	180.0°
C24	C26	C27	H27	0.1°	0.1°
C26	C24	OXT	HXT	178.5°	179.7°
C26	C27	C28	H27	180.0°	179.9°
C26	C27	C28	C29	60.0°	15.4°
C26	C27	C28	C33	120.3°	164.4°
C27	C26	C24	OXT	7.6°	179.8°
C27	C28	C29	C33	179.7°	179.8°
C27	C28	C29	C30	179.9°	180.0°
C27	C28	C33	C32	179.8°	179.8°
C27	C28	C33	N34	0.0°	0.0°
C28	C27	C26	H26	0.1°	0.1°
C27	C28	C29	H29	0.1°	0.0°
C28	C29	C30	H29	180.0°	179.9°
C28	C29	C30	C31	0.0°	0.0°
C28	C29	C30	CL	179.9°	180.0°
C29	C28	C33	C32	0.2°	0.5°
C29	C28	C33	N34	179.7°	179.8°
C29	C28	C27	H27	120.0°	164.5°
C33	C28	C29	C30	0.2°	0.2°
C28	C33	C32	C31	0.2°	0.5°
C28	C33	C32	N34	179.9°	179.8°
C28	C33	N34	C35	120.6°	132.8°
C28	C33	N34	N38	56.9°	47.5°
C33	C28	C27	H27	59.7°	15.7°
C33	C28	C29	H29	179.8°	179.8°
C28	C33	C32	H32	179.8°	179.7°
C29	C30	C31	CL	179.8°	180.0°
C29	C30	C31	C32	0.3°	0.0°
C29	C30	C31	H31	179.7°	180.0°
C30	C31	C32	H31	180.0°	179.9°
C30	C31	C32	C33	0.4°	0.3°
C31	C30	C29	H29	180.0°	180.0°
C30	C31	C32	H32	179.6°	179.9°
CL	C30	C31	C32	179.5°	180.0°
CL	C30	C29	H29	0.2°	0.0°
CL	C30	C31	H31	0.5°	0.0°
C31	C32	C33	H32	180.0°	179.8°
C31	C32	C33	N34	180.0°	179.7°
C32	C33	N34	C35	59.2°	47.0°
C32	C33	N34	N38	123.2°	132.7°
C33	C32	C31	H31	179.6°	179.8°
C33	N34	C35	N38	177.8°	179.8°
C33	N34	C35	N36	178.0°	180.0°
C33	N34	N38	N37	178.1°	179.8°
N34	C33	C32	H32	0.0°	0.0°
C33	N34	C35	H35	2.0°	0.0°
N34	C35	N36	H35	180.0°	180.0°
N34	C35	N36	N37	0.1°	0.0°
C35	N34	N38	N37	0.2°	0.4°
N38	N34	C35	N36	0.2°	0.3°
N34	N38	N37	N36	0.1°	0.4°
N38	N34	C35	H35	179.8°	179.8°
C35	N36	N37	N38	0.0°	0.3°
N37	N36	C35	H35	179.9°	180.0°
H26	C26	C27	H27	179.9°	180.0°
H26	C26	C24	OXT	172.4°	0.3°
H31	C31	C32	H32	0.4°	0.0°

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