LRU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CD2	NE2	sing	0.00Å	1.37Å	Aromatic
CD2	CG	doub	0.00Å	1.35Å	Aromatic
NE2	CE1	doub	0.00Å	1.32Å	Aromatic
CG	ND1	sing	0.00Å	1.38Å	Aromatic
CE1	ND1	sing	0.00Å	1.32Å	Aromatic
C35	C36	doub	0.00Å	1.39Å	Aromatic
C35	C34	sing	0.00Å	1.38Å	Aromatic
ND1	RU	sing	0.00Å	2.05Å
C36	N37	sing	0.00Å	1.37Å	Aromatic
C34	C33	doub	0.00Å	1.37Å	Aromatic
N37	RU	sing	0.00Å	2.09Å
N37	C32	doub	0.00Å	1.36Å	Aromatic
RU	N2	sing	0.00Å	2.07Å
RU	N13	sing	0.00Å	2.05Å
RU	N26	sing	0.00Å	2.11Å
C3	N2	doub	0.00Å	1.35Å	Aromatic
C3	C4	sing	0.00Å	1.39Å	Aromatic
C33	C32	sing	0.00Å	1.40Å	Aromatic
C32	C31	sing	0.00Å	1.46Å
N2	C7	sing	0.00Å	1.35Å	Aromatic
C4	C5	doub	0.00Å	1.38Å	Aromatic
N13	C12	doub	0.00Å	1.35Å	Aromatic
N13	C8	sing	0.00Å	1.36Å	Aromatic
C7	C8	sing	0.00Å	1.46Å
C7	C6	doub	0.00Å	1.40Å	Aromatic
C12	C11	sing	0.00Å	1.36Å	Aromatic
C5	C6	sing	0.00Å	1.37Å	Aromatic
C31	N26	doub	0.00Å	1.37Å	Aromatic
C31	C30	sing	0.00Å	1.43Å	Aromatic
N26	C27	sing	0.00Å	1.37Å	Aromatic
C8	C9	doub	0.00Å	1.37Å	Aromatic
C11	C10	doub	0.00Å	1.40Å	Aromatic
C27	C28	doub	0.00Å	1.42Å	Aromatic
C30	C29	doub	0.00Å	1.38Å	Aromatic
C9	C10	sing	0.00Å	1.38Å	Aromatic
C29	C28	sing	0.00Å	1.41Å	Aromatic
C3	H1	sing	0.00Å	1.08Å
C4	H2	sing	0.00Å	1.08Å
C5	H3	sing	0.00Å	1.08Å
C6	H4	sing	0.00Å	1.08Å
C9	H5	sing	0.00Å	1.08Å
C10	H6	sing	0.00Å	1.08Å
C11	H7	sing	0.00Å	1.08Å
C12	H8	sing	0.00Å	1.08Å
C27	H9	sing	0.00Å	1.08Å
C28	H10	sing	0.00Å	1.08Å
C29	H11	sing	0.00Å	1.08Å
C30	H12	sing	0.00Å	1.08Å
C33	H13	sing	0.00Å	1.08Å
C34	H14	sing	0.00Å	1.08Å
C35	H15	sing	0.00Å	1.08Å
C36	H16	sing	0.00Å	1.08Å
CG	H17	sing	0.00Å	1.08Å
CD2	H18	sing	0.00Å	1.08Å
CE1	H19	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NE2	CD2	CG	105.8°	90.0°
CD2	NE2	CE1	106.5°	90.0°
NE2	CD2	H18	127.1°	90.0°
CD2	CG	ND1	110.8°	90.0°
CD2	CG	H17	124.6°	90.0°
CG	CD2	H18	127.1°	90.0°
NE2	CE1	ND1	113.8°	90.0°
NE2	CE1	H19	123.1°	90.0°
CG	ND1	CE1	103.2°	90.0°
CG	ND1	RU	129.7°	90.0°
ND1	CG	H17	124.6°	90.0°
CE1	ND1	RU	125.0°	90.0°
ND1	CE1	H19	123.1°	90.0°
C36	C35	C34	119.5°	90.0°
C35	C36	N37	121.5°	90.0°
C36	C35	H15	120.2°	90.0°
C35	C36	H16	119.3°	90.0°
C35	C34	C33	119.6°	90.0°
C35	C34	H14	120.2°	90.0°
C34	C35	H15	120.2°	90.0°
ND1	RU	N37	95.4°	90.0°
ND1	RU	N2	89.7°	90.0°
ND1	RU	N13	93.4°	90.0°
ND1	RU	N26	172.7°	90.0°
C36	N37	RU	126.3°	90.0°
C36	N37	C32	118.1°	90.0°
N37	C36	H16	119.3°	90.0°
C34	C33	C32	119.3°	90.0°
C34	C33	H13	120.3°	90.0°
C33	C34	H14	120.2°	90.0°
RU	N37	C32	115.6°	90.0°
N37	RU	N2	174.4°	90.0°
N37	RU	N13	98.4°	90.0°
N37	RU	N26	77.6°	90.0°
N37	C32	C33	122.0°	90.0°
N37	C32	C31	116.5°	90.0°
N2	RU	N13	79.1°	90.0°
N2	RU	N26	97.3°	90.0°
RU	N2	C3	124.7°	90.0°
RU	N2	C7	115.1°	90.0°
N13	RU	N26	89.7°	90.0°
RU	N13	C12	125.2°	90.0°
RU	N13	C8	114.6°	90.0°
RU	N26	C31	115.7°	90.0°
RU	N26	C27	126.5°	90.0°
N2	C3	C4	122.3°	90.0°
C3	N2	C7	120.2°	90.0°
N2	C3	H1	118.9°	90.0°
C3	C4	C5	117.2°	90.0°
C4	C3	H1	118.9°	90.0°
C3	C4	H2	121.4°	90.0°
C33	C32	C31	121.5°	90.0°
C32	C33	H13	120.3°	90.0°
C32	C31	N26	114.5°	90.0°
C32	C31	C30	124.3°	90.0°
N2	C7	C8	114.6°	90.0°
N2	C7	C6	119.2°	90.0°
C4	C5	C6	120.8°	90.0°
C5	C4	H2	121.4°	90.0°
C4	C5	H3	119.6°	90.0°
C12	N13	C8	120.2°	90.0°
N13	C12	C11	120.7°	90.0°
N13	C12	H8	119.7°	90.0°
N13	C8	C7	116.6°	90.0°
N13	C8	C9	120.9°	90.0°
C8	C7	C6	126.2°	90.0°
C7	C8	C9	122.5°	90.0°
C7	C6	C5	120.4°	90.0°
C7	C6	H4	119.8°	90.0°
C12	C11	C10	119.9°	90.0°
C12	C11	H7	120.0°	90.0°
C11	C12	H8	119.7°	90.0°
C6	C5	H3	119.6°	90.0°
C5	C6	H4	119.8°	90.0°
N26	C31	C30	121.1°	90.0°
C31	N26	C27	117.7°	90.0°
C31	C30	C29	121.6°	90.0°
C31	C30	H12	119.1°	90.0°
N26	C27	C28	122.9°	90.0°
N26	C27	H9	118.5°	90.0°
C8	C9	C10	119.5°	90.0°
C8	C9	H5	120.2°	90.0°
C11	C10	C9	118.8°	90.0°
C11	C10	H6	120.6°	90.0°
C10	C11	H7	120.1°	90.0°
C27	C28	C29	119.2°	90.0°
C28	C27	H9	118.6°	90.0°
C27	C28	H10	120.4°	90.0°
C30	C29	C28	117.4°	90.0°
C30	C29	H11	121.3°	90.0°
C29	C30	H12	119.2°	90.0°
C10	C9	H5	120.2°	90.0°
C9	C10	H6	120.6°	90.0°
C29	C28	H10	120.4°	90.0°
C28	C29	H11	121.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NE2	CD2	CG	H18	180.0°	90.0°
NE2	CD2	CG	ND1	0.1°	90.0°
CD2	NE2	CE1	ND1	0.0°	90.0°
NE2	CD2	CG	H17	179.9°	90.0°
CD2	NE2	CE1	H19	180.0°	90.0°
CG	CD2	NE2	CE1	0.0°	90.0°
CD2	CG	ND1	H17	180.0°	90.0°
CD2	CG	ND1	CE1	0.1°	90.0°
CD2	CG	ND1	RU	163.6°	90.0°
NE2	CE1	ND1	CG	0.1°	90.0°
NE2	CE1	ND1	H19	180.0°	90.0°
NE2	CE1	ND1	RU	164.6°	90.0°
CE1	NE2	CD2	H18	180.0°	90.0°
CG	ND1	CE1	RU	164.5°	90.0°
CG	ND1	RU	N37	139.3°	90.0°
CG	ND1	RU	N2	42.9°	90.0°
CG	ND1	RU	N13	121.9°	90.0°
CG	ND1	RU	N26	123.5°	90.0°
ND1	CG	CD2	H18	179.9°	90.0°
CG	ND1	CE1	H19	179.9°	90.0°
CE1	ND1	RU	N37	60.4°	90.0°
CE1	ND1	RU	N2	117.4°	90.0°
CE1	ND1	RU	N13	38.3°	90.0°
CE1	ND1	RU	N26	76.2°	90.0°
CE1	ND1	CG	H17	179.9°	90.0°
C36	C35	C34	H15	180.0°	90.0°
C35	C36	N37	H16	180.0°	90.0°
C36	C35	C34	C33	0.5°	90.0°
C35	C36	N37	RU	179.6°	90.0°
C35	C36	N37	C32	0.5°	90.0°
C36	C35	C34	H14	179.5°	90.0°
C34	C35	C36	N37	0.4°	90.0°
C35	C34	C33	H14	180.0°	90.0°
C35	C34	C33	C32	0.7°	90.0°
C35	C34	C33	H13	179.3°	90.0°
C34	C35	C36	H16	179.6°	90.0°
ND1	RU	N37	C36	1.6°	90.0°
ND1	RU	N37	N2	156.8°	90.0°
ND1	RU	N37	N13	94.2°	90.0°
ND1	RU	N37	N26	178.0°	90.0°
ND1	RU	N37	C32	178.3°	90.0°
ND1	RU	N2	N13	93.5°	90.0°
ND1	RU	N2	N26	178.3°	90.0°
ND1	RU	N13	N26	173.4°	90.0°
ND1	RU	N2	C3	85.7°	90.0°
ND1	RU	N2	C7	94.4°	90.0°
ND1	RU	N13	C12	91.2°	90.0°
ND1	RU	N13	C8	90.4°	90.0°
ND1	RU	N26	C31	16.6°	90.0°
ND1	RU	N26	C27	164.0°	90.0°
RU	ND1	CG	H17	16.4°	90.0°
RU	ND1	CE1	H19	15.4°	90.0°
C36	N37	RU	C32	179.9°	90.0°
C36	N37	RU	N2	155.2°	90.0°
C36	N37	RU	N13	92.6°	90.0°
C36	N37	RU	N26	179.6°	90.0°
C36	N37	C32	C33	0.7°	90.0°
C36	N37	C32	C31	179.7°	90.0°
N37	C36	C35	H15	179.6°	90.0°
C34	C33	C32	N37	0.8°	90.0°
C34	C33	C32	H13	180.0°	90.0°
C34	C33	C32	C31	179.7°	90.0°
C33	C34	C35	H15	179.6°	90.0°
N37	RU	N2	N13	63.5°	90.0°
N37	RU	N2	N26	24.8°	90.0°
N37	RU	N13	N26	77.4°	90.0°
N37	RU	N2	C3	117.3°	90.0°
RU	N37	C32	C33	179.3°	90.0°
RU	N37	C32	C31	0.2°	90.0°
N37	RU	N2	C7	62.5°	90.0°
N37	RU	N13	C12	4.7°	90.0°
N37	RU	N13	C8	173.6°	90.0°
N37	RU	N26	C31	0.5°	90.0°
N37	RU	N26	C27	179.9°	90.0°
RU	N37	C36	H16	0.5°	90.0°
C32	N37	RU	N2	24.9°	90.0°
C32	N37	RU	N13	87.5°	90.0°
C32	N37	RU	N26	0.3°	90.0°
N37	C32	C33	C31	179.5°	90.0°
N37	C32	C31	N26	0.2°	90.0°
N37	C32	C31	C30	178.7°	90.0°
N37	C32	C33	H13	179.2°	90.0°
C32	N37	C36	H16	179.4°	90.0°
N2	RU	N13	N26	97.5°	90.0°
RU	N2	C3	C7	179.9°	90.0°
RU	N2	C3	C4	179.2°	90.0°
N2	RU	N13	C12	179.7°	90.0°
N2	RU	N13	C8	1.4°	90.0°
RU	N2	C7	C8	0.4°	90.0°
RU	N2	C7	C6	178.8°	90.0°
N2	RU	N26	C31	177.2°	90.0°
N2	RU	N26	C27	2.2°	90.0°
RU	N2	C3	H1	0.8°	90.0°
N13	RU	N2	C3	179.2°	90.0°
N13	RU	N2	C7	0.9°	90.0°
RU	N13	C12	C8	178.2°	90.0°
RU	N13	C8	C7	1.6°	90.0°
RU	N13	C12	C11	178.4°	90.0°
N13	RU	N26	C31	98.2°	90.0°
N13	RU	N26	C27	81.2°	90.0°
RU	N13	C8	C9	178.5°	90.0°
RU	N13	C12	H8	1.7°	90.0°
N26	RU	N2	C3	92.6°	90.0°
RU	N26	C31	C32	0.5°	90.0°
N26	RU	N2	C7	87.3°	90.0°
N26	RU	N13	C12	82.1°	90.0°
N26	RU	N13	C8	96.2°	90.0°
RU	N26	C31	C27	179.5°	90.0°
RU	N26	C31	C30	178.5°	90.0°
RU	N26	C27	C28	178.5°	90.0°
RU	N26	C27	H9	1.5°	90.0°
N2	C3	C4	H1	180.0°	90.0°
N2	C3	C4	C5	0.2°	90.0°
C3	N2	C7	C8	179.7°	90.0°
C3	N2	C7	C6	1.0°	90.0°
N2	C3	C4	H2	179.8°	90.0°
C4	C3	N2	C7	0.6°	90.0°
C3	C4	C5	H2	180.0°	90.0°
C3	C4	C5	C6	0.2°	90.0°
C3	C4	C5	H3	179.8°	90.0°
C33	C32	C31	N26	179.7°	90.0°
C33	C32	C31	C30	0.8°	90.0°
C32	C33	C34	H14	179.3°	90.0°
C32	C31	N26	C30	179.0°	90.0°
C32	C31	N26	C27	180.0°	90.0°
C32	C31	C30	C29	179.7°	90.0°
C32	C31	C30	H12	0.3°	90.0°
C31	C32	C33	H13	0.3°	90.0°
N2	C7	C8	N13	0.8°	90.0°
N2	C7	C8	C6	179.1°	90.0°
N2	C7	C6	C5	1.1°	90.0°
N2	C7	C8	C9	179.3°	90.0°
C7	N2	C3	H1	179.4°	90.0°
N2	C7	C6	H4	178.9°	90.0°
C4	C5	C6	C7	0.7°	90.0°
C4	C5	C6	H3	180.0°	90.0°
C5	C4	C3	H1	179.8°	90.0°
C4	C5	C6	H4	179.3°	90.0°
C12	N13	C8	C7	180.0°	90.0°
N13	C12	C11	H8	180.0°	90.0°
C12	N13	C8	C9	0.1°	90.0°
N13	C12	C11	C10	0.3°	90.0°
N13	C12	C11	H7	179.7°	90.0°
N13	C8	C7	C9	179.9°	90.0°
N13	C8	C7	C6	179.9°	90.0°
C8	N13	C12	C11	0.1°	90.0°
N13	C8	C9	C10	0.3°	90.0°
N13	C8	C9	H5	179.7°	90.0°
C8	N13	C12	H8	179.9°	90.0°
C8	C7	C6	C5	179.8°	90.0°
C7	C8	C9	C10	179.5°	90.0°
C8	C7	C6	H4	0.2°	90.0°
C7	C8	C9	H5	0.5°	90.0°
C7	C6	C5	H4	180.0°	90.0°
C6	C7	C8	C9	0.2°	90.0°
C7	C6	C5	H3	179.4°	90.0°
C12	C11	C10	H7	180.0°	90.0°
C12	C11	C10	C9	0.7°	90.0°
C12	C11	C10	H6	179.3°	90.0°
C6	C5	C4	H2	179.8°	90.0°
C31	N26	C27	C28	0.9°	90.0°
N26	C31	C30	C29	0.8°	90.0°
C31	N26	C27	H9	179.1°	90.0°
N26	C31	C30	H12	179.2°	90.0°
C30	C31	N26	C27	1.0°	90.0°
C31	C30	C29	H12	180.0°	90.0°
C31	C30	C29	C28	0.5°	90.0°
C31	C30	C29	H11	179.5°	90.0°
N26	C27	C28	H9	180.0°	90.0°
N26	C27	C28	C29	0.7°	90.0°
N26	C27	C28	H10	179.3°	90.0°
C8	C9	C10	C11	0.7°	90.0°
C8	C9	C10	H5	180.0°	90.0°
C8	C9	C10	H6	179.2°	90.0°
C11	C10	C9	H6	180.0°	90.0°
C11	C10	C9	H5	179.2°	90.0°
C10	C11	C12	H8	179.7°	90.0°
C27	C28	C29	C30	0.5°	90.0°
C27	C28	C29	H10	180.0°	90.0°
C27	C28	C29	H11	179.5°	90.0°
C30	C29	C28	H11	180.0°	90.0°
C30	C29	C28	H10	179.5°	90.0°
C9	C10	C11	H7	179.3°	90.0°
C29	C28	C27	H9	179.3°	90.0°
C28	C29	C30	H12	179.5°	90.0°
H1	C3	C4	H2	0.2°	90.0°
H2	C4	C5	H3	0.2°	90.0°
H3	C5	C6	H4	0.6°	90.0°
H5	C9	C10	H6	0.8°	90.0°
H6	C10	C11	H7	0.7°	90.0°
H7	C11	C12	H8	0.3°	90.0°
H9	C27	C28	H10	0.7°	90.0°
H10	C28	C29	H11	0.5°	90.0°
H11	C29	C30	H12	0.5°	90.0°
H13	C33	C34	H14	0.7°	90.0°
H14	C34	C35	H15	0.5°	90.0°
H15	C35	C36	H16	0.4°	90.0°
H17	CG	CD2	H18	0.1°	90.0°

Definition date:	2001-10-02
Last modified:	2011-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	1JZE