LOS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OS	N26	sing	2.09Å	2.09Å
OS	N13	sing	2.09Å	2.07Å
OS	N2	sing	2.09Å	2.07Å
N2	C3	doub	1.33Å	1.36Å	Aromatic
N2	C7	sing	1.31Å	1.37Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.37Å	1.37Å	Aromatic
C7	C6	doub	1.42Å	1.40Å	Aromatic
C8	C7	sing	1.49Å	1.46Å
C8	C9	sing	1.42Å	1.41Å	Aromatic
C10	C9	doub	1.37Å	1.37Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	N13	sing	1.33Å	1.36Å	Aromatic
N13	C8	doub	1.31Å	1.36Å	Aromatic
N26	C27	sing	1.33Å	1.36Å	Aromatic
C27	C28	doub	1.38Å	1.40Å	Aromatic
C29	C28	sing	1.39Å	1.38Å	Aromatic
C30	C29	doub	1.37Å	1.37Å	Aromatic
C31	N26	doub	1.31Å	1.37Å	Aromatic
C31	C30	sing	1.42Å	1.40Å	Aromatic
C32	C31	sing	1.49Å	1.45Å
C33	C32	doub	1.42Å	1.41Å	Aromatic
C34	C33	sing	1.37Å	1.37Å	Aromatic
C35	C34	doub	1.38Å	1.38Å	Aromatic
C35	C36	sing	1.38Å	1.39Å	Aromatic
C36	N37	doub	1.33Å	1.36Å	Aromatic
N37	OS	sing	2.09Å	2.11Å
N37	C32	sing	1.31Å	1.35Å	Aromatic
ND1	OS	sing	2.09Å	2.06Å
ND1	CG	sing	1.37Å	1.38Å	Aromatic
CD2	CG	doub	1.35Å	1.35Å	Aromatic
CE1	ND1	sing	1.35Å	1.32Å	Aromatic
NE2	CD2	sing	1.34Å	1.37Å	Aromatic
NE2	CE1	doub	1.30Å	1.32Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
CG	HG	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C33	H33	sing	1.08Å	1.08Å
C34	H34	sing	1.08Å	1.08Å
C35	H35	sing	1.08Å	1.08Å
C36	H36	sing	1.08Å	1.08Å
CD2	HD2	sing	1.08Å	1.08Å
CE1	HE1	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N26	OS	N13	92.0°	119.6°
N26	OS	N2	97.0°	93.2°
OS	N26	C27	125.4°	128.6°
OS	N26	C31	115.9°	109.0°
N26	OS	N37	77.4°	83.2°
N26	OS	ND1	162.7°	120.2°
N13	OS	N2	78.8°	83.2°
OS	N13	C12	125.3°	128.6°
OS	N13	C8	115.3°	109.0°
N13	OS	N37	94.8°	93.0°
N13	OS	ND1	87.1°	120.2°
OS	N2	C3	125.0°	128.6°
OS	N2	C7	115.0°	109.1°
N2	OS	N37	171.4°	172.6°
N2	OS	ND1	99.8°	93.7°
C3	N2	C7	119.9°	122.3°
N2	C3	C4	122.5°	121.7°
N2	C3	H3	118.8°	119.2°
N2	C7	C6	119.0°	118.4°
N2	C7	C8	115.3°	119.3°
C3	C4	C5	117.4°	118.5°
C4	C3	H3	118.7°	119.1°
C3	C4	H4	121.3°	120.6°
C4	C5	C6	120.6°	118.5°
C5	C4	H4	121.3°	120.9°
C4	C5	H5	119.7°	120.8°
C5	C6	C7	120.6°	120.6°
C6	C5	H5	119.7°	120.6°
C5	C6	H6	119.7°	119.8°
C6	C7	C8	125.7°	122.4°
C7	C6	H6	119.7°	119.6°
C7	C8	C9	123.8°	122.4°
C7	C8	N13	115.4°	119.4°
C8	C9	C10	119.5°	120.6°
C9	C8	N13	120.8°	118.2°
C8	C9	H9	120.3°	119.6°
C9	C10	C11	119.6°	118.6°
C10	C9	H9	120.3°	119.9°
C9	C10	H10	120.2°	120.6°
C10	C11	C12	119.3°	118.5°
C11	C10	H10	120.2°	120.8°
C10	C11	H11	120.3°	120.9°
C11	C12	N13	121.5°	121.7°
C12	C11	H11	120.3°	120.6°
C11	C12	H12	119.3°	119.3°
C12	N13	C8	119.3°	122.4°
N13	C12	H12	119.2°	119.0°
N26	C27	C28	122.4°	121.7°
C27	N26	C31	118.7°	122.4°
N26	C27	H27	118.8°	119.2°
C27	C28	C29	118.3°	118.5°
C28	C27	H27	118.8°	119.1°
C27	C28	H28	120.8°	120.6°
C28	C29	C30	120.2°	118.6°
C29	C28	H28	120.9°	121.0°
C28	C29	H29	119.9°	120.8°
C29	C30	C31	120.1°	120.6°
C30	C29	H29	119.9°	120.7°
C29	C30	H30	119.9°	119.7°
N26	C31	C30	120.3°	118.3°
N26	C31	C32	115.3°	119.3°
C30	C31	C32	124.5°	122.4°
C31	C30	H30	119.9°	119.7°
C31	C32	C33	122.0°	122.4°
C31	C32	N37	115.9°	119.3°
C32	C33	C34	119.6°	120.6°
C33	C32	N37	122.1°	118.3°
C32	C33	H33	120.2°	119.6°
C33	C34	C35	119.1°	118.6°
C34	C33	H33	120.2°	119.8°
C33	C34	H34	120.5°	120.6°
C34	C35	C36	119.3°	118.5°
C35	C34	H34	120.4°	120.8°
C34	C35	H35	120.4°	120.8°
C35	C36	N37	122.9°	121.7°
C36	C35	H35	120.3°	120.7°
C35	C36	H36	118.6°	119.1°
C36	N37	OS	127.4°	128.6°
C36	N37	C32	117.1°	122.3°
N37	C36	H36	118.6°	119.1°
OS	N37	C32	115.6°	109.1°
N37	OS	ND1	85.5°	93.7°
OS	ND1	CG	111.5°	126.4°
OS	ND1	CE1	143.7°	126.4°
ND1	CG	CD2	106.6°	106.8°
CG	ND1	CE1	104.8°	107.2°
ND1	CG	HG	126.7°	126.6°
CG	CD2	NE2	110.5°	108.0°
CD2	CG	HG	126.7°	126.6°
CG	CD2	HD2	124.8°	125.9°
ND1	CE1	NE2	115.4°	108.7°
ND1	CE1	HE1	122.3°	125.7°
CD2	NE2	CE1	102.7°	109.2°
NE2	CD2	HD2	124.7°	126.0°
NE2	CE1	HE1	122.3°	125.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N26	OS	N13	N2	96.7°	89.8°
N26	OS	N13	N37	77.5°	83.9°
N26	OS	N13	ND1	162.7°	179.9°
N26	OS	N2	N37	48.7°	60.4°
N26	OS	N2	ND1	175.7°	120.6°
N26	OS	N2	C3	90.2°	59.8°
N26	OS	N2	C7	86.9°	120.2°
N26	OS	N13	C12	84.2°	89.5°
N26	OS	N13	C8	93.0°	90.5°
OS	N26	C27	C31	178.3°	179.7°
OS	N26	C27	C28	178.5°	179.4°
OS	N26	C31	C30	178.8°	179.6°
OS	N26	C31	C32	1.7°	1.1°
N26	OS	N37	C36	179.6°	179.5°
N26	OS	N37	ND1	177.7°	120.0°
N26	OS	N37	C32	1.5°	0.5°
N26	OS	ND1	CG	167.4°	180.0°
N26	OS	ND1	CE1	12.8°	0.0°
OS	N26	C27	H27	1.5°	0.6°
N13	OS	N2	N37	42.0°	59.1°
N13	OS	N2	ND1	85.0°	120.0°
N13	OS	N2	C3	179.1°	179.3°
N13	OS	N2	C7	3.8°	0.7°
OS	N13	C8	C7	3.1°	0.6°
OS	N13	C8	C9	176.7°	179.4°
OS	N13	C12	C11	176.6°	179.5°
OS	N13	C12	C8	177.1°	180.0°
N13	OS	N26	C27	85.6°	89.8°
N13	OS	N26	C31	92.8°	90.4°
N13	OS	N37	C36	89.4°	60.0°
N13	OS	N37	ND1	86.7°	120.5°
N13	OS	N37	C32	89.5°	120.0°
N13	OS	ND1	CG	79.8°	0.1°
N13	OS	ND1	CE1	100.4°	179.9°
OS	N13	C12	H12	3.4°	0.6°
OS	N2	C3	C7	177.0°	180.0°
OS	N2	C3	C4	176.9°	179.7°
OS	N2	C7	C6	177.1°	179.8°
OS	N2	C7	C8	3.3°	0.6°
N2	OS	N13	C12	179.1°	179.3°
N2	OS	N13	C8	3.7°	0.7°
N2	OS	N26	C27	6.7°	5.8°
N2	OS	N26	C31	171.7°	174.4°
N2	OS	N37	C36	130.6°	118.6°
N2	OS	N37	ND1	127.9°	179.0°
N2	OS	N37	C32	48.3°	61.4°
N2	OS	ND1	CG	1.7°	84.2°
N2	OS	ND1	CE1	178.4°	95.8°
OS	N2	C3	H3	3.1°	0.6°
N2	C3	C4	H3	180.0°	179.6°
N2	C3	C4	C5	0.1°	0.0°
C3	N2	C7	C6	0.2°	0.2°
C3	N2	C7	C8	179.4°	179.4°
C3	N2	OS	N37	138.9°	120.2°
C3	N2	OS	ND1	94.0°	60.8°
N2	C3	C4	H4	179.9°	180.0°
C7	N2	C3	C4	0.1°	0.3°
N2	C7	C6	C5	0.0°	0.1°
N2	C7	C6	C8	179.5°	179.6°
N2	C7	C8	C9	180.0°	179.9°
N2	C7	C8	N13	0.2°	0.0°
C7	N2	OS	N37	38.2°	59.8°
C7	N2	OS	ND1	88.8°	119.2°
C7	N2	C3	H3	179.9°	179.4°
N2	C7	C6	H6	179.9°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.3°
C3	C4	C5	H5	179.8°	179.8°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.2°	0.3°
C5	C4	C3	H3	179.9°	179.6°
C4	C5	C6	H6	179.8°	179.6°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	179.5°	179.7°
C6	C5	C4	H4	179.8°	179.8°
C6	C7	C8	C9	0.5°	0.4°
C6	C7	C8	N13	179.7°	179.6°
C7	C6	C5	H5	179.8°	179.8°
C7	C8	C9	N13	179.8°	179.9°
C7	C8	C9	C10	179.8°	179.8°
C7	C8	N13	C12	179.6°	179.4°
C8	C7	C6	H6	0.6°	0.3°
C7	C8	C9	H9	0.2°	0.1°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.0°	0.4°
C9	C8	N13	C12	0.7°	0.6°
C8	C9	C10	H10	180.0°	179.8°
C9	C10	C11	H10	180.0°	179.8°
C9	C10	C11	C12	0.2°	0.4°
C10	C9	C8	N13	0.4°	0.1°
C9	C10	C11	H11	179.8°	180.0°
C10	C11	C12	H11	180.0°	179.6°
C10	C11	C12	N13	0.0°	0.0°
C11	C10	C9	H9	180.0°	179.6°
C10	C11	C12	H12	180.0°	179.9°
C11	C12	N13	H12	180.0°	179.9°
C11	C12	N13	C8	0.5°	0.5°
C12	C11	C10	H10	179.8°	179.8°
C12	N13	OS	N37	6.7°	5.6°
C12	N13	OS	ND1	78.5°	90.4°
N13	C12	C11	H11	180.0°	179.6°
C8	N13	OS	N37	170.5°	174.4°
C8	N13	OS	ND1	104.3°	89.6°
N13	C8	C9	H9	179.6°	179.9°
C8	N13	C12	H12	179.5°	179.4°
N26	C27	C28	H27	180.0°	180.0°
N26	C27	C28	C29	0.1°	0.2°
C27	N26	C31	C30	0.3°	0.1°
C27	N26	C31	C32	179.8°	179.1°
C27	N26	OS	N37	179.9°	179.4°
C27	N26	OS	ND1	172.4°	90.3°
N26	C27	C28	H28	179.9°	179.7°
C27	C28	C29	H28	180.0°	179.9°
C27	C28	C29	C30	0.0°	0.2°
C28	C27	N26	C31	0.2°	0.3°
C27	C28	C29	H29	180.0°	179.8°
C28	C29	C30	H29	180.0°	179.9°
C28	C29	C30	C31	0.1°	0.3°
C29	C28	C27	H27	179.9°	179.8°
C28	C29	C30	H30	179.9°	179.7°
C29	C30	C31	N26	0.3°	0.2°
C29	C30	C31	H30	180.0°	180.0°
C29	C30	C31	C32	179.7°	179.5°
C30	C29	C28	H28	180.0°	179.9°
N26	C31	C30	C32	179.5°	179.2°
N26	C31	C32	C33	179.8°	179.1°
C31	N26	OS	N37	1.7°	0.9°
N26	C31	C32	N37	0.4°	0.7°
C31	N26	OS	ND1	6.0°	89.4°
C31	N26	C27	H27	179.8°	179.6°
N26	C31	C30	H30	179.7°	179.8°
C30	C31	C32	C33	0.3°	0.1°
C30	C31	C32	N37	179.9°	180.0°
C31	C30	C29	H29	179.9°	179.6°
C31	C32	C33	N37	179.7°	179.9°
C31	C32	C33	C34	180.0°	179.9°
C31	C32	N37	C36	179.9°	179.9°
C31	C32	N37	OS	1.0°	0.1°
C32	C31	C30	H30	0.3°	0.6°
C31	C32	C33	H33	0.0°	0.1°
C32	C33	C34	H33	180.0°	180.0°
C32	C33	C34	C35	0.1°	0.2°
C33	C32	N37	C36	0.4°	0.0°
C33	C32	N37	OS	178.7°	180.0°
C32	C33	C34	H34	179.9°	179.8°
C33	C34	C35	H34	180.0°	180.0°
C33	C34	C35	C36	0.1°	0.0°
C34	C33	C32	N37	0.3°	0.2°
C33	C34	C35	H35	179.9°	179.9°
C34	C35	C36	H35	180.0°	179.9°
C34	C35	C36	N37	0.0°	0.3°
C35	C34	C33	H33	179.9°	179.8°
C34	C35	C36	H36	180.0°	179.5°
C35	C36	N37	H36	180.0°	179.8°
C35	C36	N37	OS	178.7°	179.8°
C35	C36	N37	C32	0.2°	0.2°
C36	C35	C34	H34	179.9°	179.9°
C36	N37	OS	C32	179.0°	180.0°
C36	N37	OS	ND1	2.7°	60.5°
N37	C36	C35	H35	180.0°	179.6°
N37	OS	ND1	CG	174.9°	95.7°
N37	OS	ND1	CE1	5.3°	84.3°
OS	N37	C36	H36	1.3°	0.4°
C32	N37	OS	ND1	176.2°	119.5°
N37	C32	C33	H33	179.7°	179.7°
C32	N37	C36	H36	179.8°	179.5°
OS	ND1	CG	CE1	179.9°	180.0°
OS	ND1	CG	CD2	179.9°	179.8°
OS	ND1	CE1	NE2	179.8°	179.9°
OS	ND1	CG	HG	0.1°	0.1°
OS	ND1	CE1	HE1	0.2°	0.0°
ND1	CG	CD2	HG	180.0°	179.7°
ND1	CG	CD2	NE2	0.0°	0.2°
CG	ND1	CE1	NE2	0.0°	0.2°
ND1	CG	CD2	HD2	180.0°	179.7°
CG	ND1	CE1	HE1	180.0°	180.0°
CD2	CG	ND1	CE1	0.0°	0.2°
CG	CD2	NE2	HD2	180.0°	180.0°
CG	CD2	NE2	CE1	0.0°	0.2°
ND1	CE1	NE2	CD2	0.0°	0.0°
ND1	CE1	NE2	HE1	180.0°	179.8°
CE1	ND1	CG	HG	180.0°	180.0°
NE2	CD2	CG	HG	180.0°	180.0°
CD2	NE2	CE1	HE1	180.0°	179.8°
CE1	NE2	CD2	HD2	180.0°	179.8°
H3	C3	C4	H4	0.1°	0.4°
H4	C4	C5	H5	0.2°	0.2°
H5	C5	C6	H6	0.1°	0.3°
H9	C9	C10	H10	0.0°	0.2°
HG	CG	CD2	HD2	0.0°	0.0°
H10	C10	C11	H11	0.2°	0.2°
H11	C11	C12	H12	0.0°	0.5°
H27	C27	C28	H28	0.1°	0.3°
H28	C28	C29	H29	0.0°	0.1°
H29	C29	C30	H30	0.1°	0.4°
H33	C33	C34	H34	0.1°	0.2°
H34	C34	C35	H35	0.1°	0.2°
H35	C35	C36	H36	0.0°	0.6°

Definition date:	2001-10-03
Last modified:	2011-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	1JZJ