DOS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OS	N13	sing	2.09Å	2.07Å
OS	N37	sing	2.09Å	2.08Å
OS	ND1	sing	2.09Å	2.10Å
N2	OS	sing	2.09Å	2.08Å
N2	C7	sing	1.31Å	1.36Å	Aromatic
C3	N2	doub	1.33Å	1.36Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.37Å	Aromatic
C6	C7	doub	1.42Å	1.40Å	Aromatic
C7	C8	sing	1.49Å	1.46Å
C8	C9	doub	1.42Å	1.41Å	Aromatic
C8	N13	sing	1.31Å	1.36Å	Aromatic
C9	C10	sing	1.37Å	1.37Å	Aromatic
CG	CD2	doub	1.35Å	1.35Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
N13	C12	doub	1.33Å	1.36Å	Aromatic
N26	OS	sing	2.09Å	2.06Å
N26	C31	sing	1.31Å	1.36Å	Aromatic
C27	N26	doub	1.33Å	1.35Å	Aromatic
C28	C27	sing	1.38Å	1.39Å	Aromatic
C28	C29	doub	1.38Å	1.39Å	Aromatic
C29	C30	sing	1.38Å	1.37Å	Aromatic
C30	C31	doub	1.42Å	1.41Å	Aromatic
C31	C32	sing	1.49Å	1.46Å
C32	N37	doub	1.31Å	1.34Å	Aromatic
C32	C33	sing	1.42Å	1.40Å	Aromatic
C33	C34	doub	1.37Å	1.36Å	Aromatic
C34	C35	sing	1.38Å	1.39Å	Aromatic
C36	C35	doub	1.38Å	1.39Å	Aromatic
N37	C36	sing	1.33Å	1.37Å	Aromatic
ND1	CG	sing	1.37Å	1.38Å	Aromatic
ND1	CE1	sing	1.35Å	1.32Å	Aromatic
CE1	NE2	doub	1.30Å	1.32Å	Aromatic
NE2	CD2	sing	1.34Å	1.37Å	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)
N13	OS	N37	96.3°	93.2°
N13	OS	ND1	81.1°	120.1°
N13	OS	N2	78.8°	83.2°
OS	N13	C8	115.2°	109.0°
OS	N13	C12	125.6°	128.6°
N13	OS	N26	94.3°	119.7°
N37	OS	ND1	92.6°	93.7°
N37	OS	N2	172.5°	172.6°
N37	OS	N26	78.7°	83.2°
OS	N37	C32	115.0°	109.1°
OS	N37	C36	126.4°	128.6°
ND1	OS	N2	92.2°	93.7°
ND1	OS	N26	169.7°	120.1°
OS	ND1	CG	131.1°	126.4°
OS	ND1	CE1	131.7°	126.4°
OS	N2	C7	115.0°	109.1°
OS	N2	C3	125.2°	128.6°
N2	OS	N26	96.0°	92.9°
C7	N2	C3	119.7°	122.3°
N2	C7	C6	119.9°	118.3°
N2	C7	C8	115.3°	119.3°
N2	C3	C4	121.9°	121.7°
N2	C3	H3	119.1°	119.1°
C3	C4	C5	118.3°	118.6°
C4	C3	H3	119.0°	119.2°
C3	C4	H4	120.9°	120.6°
C4	C5	C6	120.3°	118.5°
C5	C4	H4	120.9°	120.9°
C4	C5	H5	119.8°	120.9°
C5	C6	C7	120.0°	120.6°
C6	C5	H5	119.8°	120.6°
C5	C6	H6	120.0°	119.7°
C6	C7	C8	124.8°	122.4°
C7	C6	H6	120.0°	119.7°
C7	C8	C9	123.5°	122.4°
C7	C8	N13	115.6°	119.3°
C9	C8	N13	120.9°	118.2°
C8	C9	C10	119.4°	120.5°
C8	C9	H9	120.3°	119.7°
C8	N13	C12	119.2°	122.4°
C9	C10	C11	119.7°	118.6°
C10	C9	H9	120.3°	119.8°
C9	C10	H10	120.1°	120.5°
CD2	CG	ND1	118.3°	106.8°
CG	CD2	NE2	100.1°	108.0°
CD2	CG	HG	120.9°	126.5°
CG	CD2	HD2	129.9°	126.0°
C10	C11	C12	119.3°	118.5°
C11	C10	H10	120.2°	120.9°
C10	C11	H11	120.3°	120.9°
C11	C12	N13	121.4°	121.7°
C12	C11	H11	120.3°	120.6°
C11	C12	H12	119.3°	119.2°
N13	C12	H12	119.3°	119.1°
OS	N26	C31	115.2°	109.1°
OS	N26	C27	125.2°	128.5°
C31	N26	C27	119.6°	122.4°
N26	C31	C30	119.7°	118.3°
N26	C31	C32	115.3°	119.3°
N26	C27	C28	122.6°	121.6°
N26	C27	H27	118.7°	119.1°
C27	C28	C29	117.9°	118.5°
C28	C27	H27	118.7°	119.3°
C27	C28	H28	121.0°	120.5°
C28	C29	C30	119.9°	118.6°
C29	C28	H28	121.1°	120.9°
C28	C29	H29	120.1°	120.8°
C29	C30	C31	120.2°	120.5°
C30	C29	H29	120.1°	120.6°
C29	C30	H30	119.9°	119.8°
C30	C31	C32	125.0°	122.4°
C31	C30	H30	119.9°	119.7°
C31	C32	N37	115.8°	119.3°
C31	C32	C33	122.8°	122.4°
N37	C32	C33	121.4°	118.3°
C32	N37	C36	118.6°	122.3°
C32	C33	C34	119.8°	120.6°
C32	C33	H33	120.1°	119.6°
C33	C34	C35	119.4°	118.5°
C34	C33	H33	120.1°	119.8°
C33	C34	H34	120.3°	120.5°
C34	C35	C36	119.1°	118.5°
C35	C34	H34	120.3°	121.0°
C34	C35	H35	120.5°	120.8°
C35	C36	N37	121.6°	121.8°
C36	C35	H35	120.4°	120.7°
C35	C36	H36	119.2°	119.1°
N37	C36	H36	119.2°	119.1°
CG	ND1	CE1	96.9°	107.2°
ND1	CG	HG	120.8°	126.7°
ND1	CE1	NE2	116.5°	108.7°
ND1	CE1	HE1	121.7°	125.7°
CE1	NE2	CD2	108.3°	109.2°
NE2	CE1	HE1	121.8°	125.6°
NE2	CD2	HD2	130.0°	126.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	OS	N37	ND1	81.4°	120.5°
N13	OS	N37	N2	48.1°	60.7°
N13	OS	N37	N26	93.2°	119.6°
N13	OS	ND1	N2	78.3°	84.3°
N13	OS	ND1	N26	64.3°	179.8°
N13	OS	N2	N26	93.2°	119.6°
N13	OS	N2	C7	2.7°	1.7°
N13	OS	N2	C3	179.8°	178.4°
OS	N13	C8	C7	2.1°	1.8°
OS	N13	C8	C9	177.6°	178.5°
OS	N13	C8	C12	177.8°	179.8°
OS	N13	C12	C11	177.3°	178.8°
N13	OS	N26	C31	93.5°	90.8°
N13	OS	N26	C27	84.8°	89.5°
N13	OS	N37	C32	91.3°	120.0°
N13	OS	N37	C36	87.4°	60.0°
N13	OS	ND1	CG	88.0°	180.0°
N13	OS	ND1	CE1	100.5°	0.0°
OS	N13	C12	H12	2.7°	1.1°
N37	OS	ND1	N2	174.2°	179.8°
N37	OS	ND1	N26	31.6°	84.3°
N37	OS	N2	N26	44.2°	58.3°
N37	OS	N2	C7	46.3°	62.9°
N37	OS	N2	C3	131.2°	117.1°
N37	OS	N13	C8	171.8°	175.3°
N37	OS	N13	C12	5.9°	4.9°
N37	OS	N26	C31	2.0°	1.0°
N37	OS	N26	C27	179.7°	179.3°
OS	N37	C32	C31	1.4°	0.1°
OS	N37	C32	C36	178.8°	180.0°
OS	N37	C32	C33	178.4°	179.6°
OS	N37	C36	C35	178.3°	179.8°
N37	OS	ND1	CG	7.9°	84.1°
N37	OS	ND1	CE1	163.6°	95.8°
OS	N37	C36	H36	1.7°	0.2°
ND1	OS	N2	N26	173.8°	120.5°
ND1	OS	N2	C7	83.2°	118.3°
ND1	OS	N2	C3	99.3°	61.6°
ND1	OS	N13	C8	96.6°	88.5°
OS	ND1	CG	CD2	173.4°	179.9°
ND1	OS	N13	C12	85.7°	91.2°
ND1	OS	N26	C31	30.3°	89.4°
ND1	OS	N26	C27	148.1°	90.3°
ND1	OS	N37	C32	172.7°	119.5°
ND1	OS	N37	C36	6.0°	60.5°
OS	ND1	CG	CE1	173.6°	179.9°
OS	ND1	CE1	NE2	173.5°	179.7°
OS	ND1	CG	HG	6.7°	0.3°
OS	ND1	CE1	HE1	6.6°	0.0°
OS	N2	C7	C3	177.7°	179.9°
OS	N2	C3	C4	177.3°	179.7°
OS	N2	C7	C6	177.7°	179.6°
OS	N2	C7	C8	2.4°	1.2°
N2	OS	N13	C8	2.6°	1.9°
N2	OS	N13	C12	179.8°	178.4°
N2	OS	N26	C31	172.7°	174.6°
N2	OS	N26	C27	5.7°	5.7°
N2	OS	N37	C32	43.2°	59.3°
N2	OS	N37	C36	135.5°	120.7°
N2	OS	ND1	CG	166.3°	95.7°
N2	OS	ND1	CE1	22.2°	84.3°
OS	N2	C3	H3	2.7°	0.2°
C7	N2	C3	C4	0.1°	0.2°
N2	C7	C6	C5	0.2°	0.3°
N2	C7	C6	C8	179.9°	179.1°
N2	C7	C8	C9	179.9°	179.9°
N2	C7	C8	N13	0.2°	0.4°
C7	N2	OS	N26	90.6°	121.3°
C7	N2	C3	H3	179.9°	179.9°
N2	C7	C6	H6	179.8°	179.9°
N2	C3	C4	H3	180.0°	179.9°
N2	C3	C4	C5	0.0°	0.0°
C3	N2	C7	C6	0.0°	0.3°
C3	N2	C7	C8	179.9°	178.9°
C3	N2	OS	N26	87.0°	58.8°
N2	C3	C4	H4	180.0°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	H5	179.8°	179.8°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	C7	0.3°	0.2°
C5	C4	C3	H3	180.0°	179.9°
C4	C5	C6	H6	179.8°	180.0°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	C8	179.9°	178.8°
C6	C5	C4	H4	179.8°	179.9°
C6	C7	C8	C9	0.2°	1.0°
C6	C7	C8	N13	179.9°	178.7°
C7	C6	C5	H5	179.7°	179.7°
C7	C8	C9	N13	179.7°	179.7°
C7	C8	C9	C10	179.7°	179.1°
C7	C8	N13	C12	179.9°	178.5°
C8	C7	C6	H6	0.1°	1.0°
C7	C8	C9	H9	0.3°	0.9°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.1°	0.3°
C9	C8	N13	C12	0.2°	1.3°
C8	C9	C10	H10	179.9°	179.7°
N13	C8	C9	C10	0.0°	0.7°
C8	N13	C12	C11	0.3°	0.9°
C8	N13	OS	N26	92.7°	91.3°
N13	C8	C9	H9	180.0°	179.4°
C8	N13	C12	H12	179.7°	179.2°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	C12	0.0°	0.7°
C9	C10	C11	H11	180.0°	179.6°
CD2	CG	ND1	HG	180.0°	179.7°
CD2	CG	ND1	CE1	0.3°	0.0°
CG	CD2	NE2	CE1	0.2°	0.4°
CG	CD2	NE2	HD2	180.0°	179.8°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	N13	0.2°	0.2°
C11	C10	C9	H9	179.9°	179.7°
C10	C11	C12	H12	179.8°	179.7°
C11	C12	N13	H12	180.0°	179.9°
C12	C11	C10	H10	180.0°	179.3°
C12	N13	OS	N26	85.0°	88.9°
N13	C12	C11	H11	179.8°	179.9°
OS	N26	C31	C27	178.4°	179.7°
OS	N26	C27	C28	178.3°	179.0°
OS	N26	C31	C30	178.4°	179.3°
OS	N26	C31	C32	1.9°	1.3°
N26	OS	N37	C32	1.9°	0.4°
N26	OS	N37	C36	179.5°	179.6°
N26	OS	ND1	CG	23.6°	0.2°
N26	OS	ND1	CE1	164.8°	179.9°
OS	N26	C27	H27	1.7°	0.5°
C31	N26	C27	C28	0.0°	0.7°
N26	C31	C30	C29	0.0°	0.1°
N26	C31	C30	C32	179.7°	179.3°
N26	C31	C32	N37	0.3°	1.1°
N26	C31	C32	C33	179.9°	178.6°
C31	N26	C27	H27	180.0°	179.8°
N26	C31	C30	H30	180.0°	179.9°
N26	C27	C28	H27	180.0°	179.5°
N26	C27	C28	C29	0.1°	0.4°
C27	N26	C31	C30	0.0°	0.4°
C27	N26	C31	C32	179.7°	178.9°
N26	C27	C28	H28	179.9°	179.5°
C27	C28	C29	H28	180.0°	179.9°
C27	C28	C29	C30	0.1°	0.1°
C27	C28	C29	H29	179.9°	179.6°
C28	C29	C30	H29	180.0°	179.7°
C28	C29	C30	C31	0.1°	0.3°
C29	C28	C27	H27	179.9°	179.9°
C28	C29	C30	H30	179.9°	179.6°
C29	C30	C31	H30	180.0°	179.9°
C29	C30	C31	C32	179.7°	179.4°
C30	C29	C28	H28	179.9°	180.0°
C30	C31	C32	N37	180.0°	179.6°
C30	C31	C32	C33	0.2°	0.7°
C31	C30	C29	H29	179.9°	179.4°
C31	C32	N37	C33	179.8°	179.7°
C31	C32	C33	C34	179.9°	180.0°
C31	C32	N37	C36	179.8°	179.9°
C32	C31	C30	H30	0.3°	0.5°
C31	C32	C33	H33	0.1°	0.3°
N37	C32	C33	C34	0.3°	0.3°
C32	N37	C36	C35	0.3°	0.2°
N37	C32	C33	H33	179.7°	179.4°
C32	N37	C36	H36	179.7°	179.8°
C32	C33	C34	H33	180.0°	179.8°
C32	C33	C34	C35	0.0°	0.0°
C33	C32	N37	C36	0.4°	0.5°
C32	C33	C34	H34	180.0°	179.8°
C33	C34	C35	H34	180.0°	179.8°
C33	C34	C35	C36	0.1°	0.2°
C33	C34	C35	H35	179.9°	179.7°
C34	C35	C36	H35	180.0°	180.0°
C34	C35	C36	N37	0.0°	0.1°
C35	C34	C33	H33	180.0°	179.8°
C34	C35	C36	H36	180.0°	179.9°
C35	C36	N37	H36	180.0°	180.0°
C36	C35	C34	H34	179.9°	179.6°
N37	C36	C35	H35	180.0°	179.9°
CG	ND1	CE1	NE2	0.1°	0.2°
ND1	CG	CD2	NE2	0.3°	0.2°
ND1	CG	CD2	HD2	179.7°	179.6°
CG	ND1	CE1	HE1	179.8°	180.0°
ND1	CE1	NE2	HE1	180.0°	179.7°
ND1	CE1	NE2	CD2	0.0°	0.4°
CE1	ND1	CG	HG	179.7°	179.7°
CE1	NE2	CD2	HD2	179.8°	179.5°
NE2	CD2	CG	HG	179.7°	180.0°
CD2	NE2	CE1	HE1	180.0°	179.9°
H3	C3	C4	H4	0.0°	0.0°
H4	C4	C5	H5	0.2°	0.2°
H5	C5	C6	H6	0.2°	0.2°
H9	C9	C10	H10	0.1°	0.4°
HG	CG	CD2	HD2	0.3°	0.1°
H10	C10	C11	H11	0.0°	0.4°
H11	C11	C12	H12	0.2°	0.0°
H27	C27	C28	H28	0.1°	0.0°
H28	C28	C29	H29	0.1°	0.3°
H29	C29	C30	H30	0.1°	0.7°
H33	C33	C34	H34	0.0°	0.0°
H34	C34	C35	H35	0.1°	0.4°
H35	C35	C36	H36	0.1°	0.1°

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