REP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
RE	N1	sing	2.09Å	2.16Å
RE	N2	sing	2.09Å	2.17Å
RE	C1	sing	2.15Å	1.95Å
RE	C2	sing	2.15Å	1.93Å
RE	C3	sing	2.15Å	1.95Å
N1	C7	sing	1.39Å	1.34Å	Aromatic
N1	C11	doub	1.39Å	1.37Å	Aromatic
N2	C12	doub	1.39Å	1.38Å	Aromatic
N2	C16	sing	1.39Å	1.34Å	Aromatic
O1	C1	trip	1.00Å	1.15Å
O2	C2	trip	1.00Å	1.14Å
O3	C3	trip	1.00Å	1.11Å
C7	C8	doub	1.35Å	1.40Å	Aromatic
C7	H71	sing	1.08Å	1.08Å
C8	C9	sing	1.41Å	1.34Å	Aromatic
C8	H81	sing	1.08Å	1.08Å
C9	C10	doub	1.39Å	1.42Å	Aromatic
C9	H91	sing	1.08Å	1.08Å
C10	C11	sing	1.47Å	1.41Å	Aromatic
C10	C17	sing	1.46Å	1.44Å	Aromatic
C11	C12	sing	1.32Å	1.43Å	Aromatic
C12	C13	sing	1.47Å	1.41Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C13	C18	sing	1.46Å	1.44Å	Aromatic
C14	C15	sing	1.41Å	1.36Å	Aromatic
C14	H141	sing	1.08Å	1.08Å
C15	C16	doub	1.35Å	1.41Å	Aromatic
C15	H151	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C17	C18	doub	1.35Å	1.35Å	Aromatic
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	RE	N2	76.5°	82.0°
N1	RE	C1	95.1°	90.0°
N1	RE	C2	173.1°	90.0°
N1	RE	C3	99.0°	90.1°
RE	N1	C7	126.6°	131.6°
RE	N1	C11	114.9°	108.4°
N2	RE	C1	92.6°	90.0°
N2	RE	C2	97.8°	90.0°
N2	RE	C3	175.5°	172.0°
RE	N2	C12	114.4°	108.4°
RE	N2	C16	128.6°	131.6°
C1	RE	C2	88.9°	180.0°
C1	RE	C3	88.4°	90.1°
RE	C1	O1	178.6°	179.9°
C2	RE	C3	86.7°	90.0°
RE	C2	O2	178.6°	180.0°
RE	C3	O3	178.6°	179.9°
C7	N1	C11	118.5°	120.0°
N1	C7	C8	122.5°	121.4°
N1	C7	H71	118.8°	119.3°
N1	C11	C10	122.3°	119.0°
N1	C11	C12	117.3°	120.6°
C12	N2	C16	117.0°	120.0°
N2	C12	C11	116.9°	120.6°
N2	C12	C13	122.9°	119.0°
N2	C16	C15	123.3°	121.4°
N2	C16	H161	118.4°	119.4°
C8	C7	H71	118.7°	119.2°
C7	C8	C9	119.5°	121.6°
C7	C8	H81	120.2°	119.2°
C9	C8	H81	120.2°	119.3°
C8	C9	C10	120.6°	119.6°
C8	C9	H91	119.7°	120.1°
C10	C9	H91	119.7°	120.2°
C9	C10	C11	116.6°	118.4°
C9	C10	C17	125.5°	121.9°
C11	C10	C17	117.9°	119.6°
C10	C11	C12	120.4°	120.4°
C10	C17	C18	121.7°	120.0°
C10	C17	H171	119.2°	120.0°
C11	C12	C13	120.3°	120.4°
C12	C13	C14	117.4°	118.4°
C12	C13	C18	118.4°	119.7°
C14	C13	C18	124.2°	121.9°
C13	C14	C15	120.8°	119.6°
C13	C14	H141	119.6°	120.3°
C13	C18	C17	121.4°	119.9°
C13	C18	H181	119.3°	120.0°
C15	C14	H141	119.6°	120.1°
C14	C15	C16	118.6°	121.6°
C14	C15	H151	120.7°	119.3°
C16	C15	H151	120.7°	119.1°
C15	C16	H161	118.4°	119.3°
C18	C17	H171	119.1°	120.0°
C17	C18	H181	119.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	RE	N2	C1	94.6°	90.0°
N1	RE	N2	C2	176.2°	90.0°
N1	RE	N2	C3	8.5°	0.3°
N1	RE	C1	C2	174.4°	101.0°
N1	RE	C1	C3	98.9°	90.1°
N1	RE	C2	C3	146.0°	90.1°
RE	N1	C7	C11	179.8°	179.8°
N1	RE	N2	C12	0.6°	0.2°
N1	RE	N2	C16	179.5°	179.9°
N1	RE	C1	O1	67.0°	76.7°
N1	RE	C2	O2	177.3°	4.2°
N1	RE	C3	O3	47.5°	47.9°
RE	N1	C7	C8	178.9°	179.8°
RE	N1	C7	H71	1.1°	0.1°
RE	N1	C11	C10	179.1°	179.8°
RE	N1	C11	C12	0.5°	0.1°
N2	RE	C1	C2	97.7°	19.1°
N2	RE	C1	C3	175.6°	172.0°
N2	RE	C2	C3	179.0°	172.0°
N2	RE	N1	C7	179.2°	179.7°
N2	RE	N1	C11	0.6°	0.1°
RE	N2	C12	C16	179.9°	179.9°
N2	RE	C1	O1	9.7°	158.7°
N2	RE	C2	O2	144.3°	86.1°
N2	RE	C3	O3	39.2°	48.2°
RE	N2	C12	C11	0.6°	0.2°
RE	N2	C12	C13	179.0°	179.9°
RE	N2	C16	C15	179.1°	179.9°
RE	N2	C16	H161	0.9°	0.1°
C1	RE	C2	C3	88.5°	168.9°
C1	RE	N1	C7	89.3°	90.3°
C1	RE	N1	C11	90.9°	89.9°
C1	RE	N2	C12	94.0°	89.8°
C1	RE	N2	C16	85.9°	90.1°
C1	RE	C2	O2	51.8°	105.2°
C1	RE	C3	O3	142.4°	42.1°
C2	RE	N1	C7	145.4°	89.7°
C2	RE	N1	C11	34.4°	90.1°
C2	RE	N2	C12	176.8°	90.2°
C2	RE	N2	C16	3.3°	89.9°
C2	RE	C1	O1	107.4°	177.7°
C2	RE	C3	O3	128.6°	137.9°
C3	RE	N1	C7	0.1°	0.3°
C3	RE	N1	C11	179.9°	179.9°
C3	RE	N2	C12	9.1°	0.5°
C3	RE	N2	C16	171.0°	179.6°
C3	RE	C1	O1	165.9°	13.4°
C3	RE	C2	O2	36.7°	85.9°
N1	C7	C8	H71	180.0°	179.9°
N1	C7	C8	C9	1.3°	0.1°
N1	C7	C8	H81	178.8°	179.9°
C7	N1	C11	C10	1.1°	0.4°
C7	N1	C11	C12	179.3°	179.7°
N1	C11	C12	N2	0.0°	0.0°
C11	N1	C7	C8	1.3°	0.4°
C11	N1	C7	H71	178.7°	179.7°
N1	C11	C10	C9	0.8°	0.2°
N1	C11	C10	C12	179.6°	179.9°
N1	C11	C10	C17	179.6°	179.8°
N1	C11	C12	C13	179.6°	180.0°
N2	C12	C11	C10	179.7°	179.9°
N2	C12	C11	C13	179.6°	180.0°
N2	C12	C13	C14	0.9°	0.1°
N2	C12	C13	C18	179.9°	179.9°
C12	N2	C16	C15	0.8°	0.0°
C12	N2	C16	H161	179.2°	180.0°
C16	N2	C12	C11	179.5°	179.9°
C16	N2	C12	C13	0.9°	0.1°
N2	C16	C15	C14	0.8°	0.0°
N2	C16	C15	H161	180.0°	180.0°
N2	C16	C15	H151	179.2°	179.9°
C7	C8	C9	H81	180.0°	180.0°
C7	C8	C9	C10	1.0°	0.1°
C7	C8	C9	H91	179.0°	179.9°
H71	C7	C8	C9	178.8°	180.0°
H71	C7	C8	H81	1.2°	0.1°
C8	C9	C10	H91	180.0°	180.0°
C8	C9	C10	C11	0.7°	0.1°
C8	C9	C10	C17	179.7°	179.9°
H81	C8	C9	C10	179.1°	179.9°
H81	C8	C9	H91	1.0°	0.1°
C9	C10	C11	C17	179.6°	180.0°
C9	C10	C11	C12	179.6°	180.0°
C9	C10	C17	C18	179.3°	179.9°
C9	C10	C17	H171	0.7°	0.1°
H91	C9	C10	C11	179.2°	179.9°
H91	C9	C10	C17	0.3°	0.1°
C10	C11	C12	C13	0.0°	0.1°
C11	C10	C17	C18	0.2°	0.1°
C11	C10	C17	H171	179.8°	179.9°
C17	C10	C11	C12	0.0°	0.0°
C10	C17	C18	C13	0.5°	0.1°
C10	C17	C18	H171	180.0°	180.0°
C10	C17	C18	H181	179.5°	180.0°
C11	C12	C13	C14	179.5°	179.9°
C11	C12	C13	C18	0.3°	0.2°
C12	C13	C14	C18	179.2°	179.9°
C12	C13	C14	C15	0.8°	0.0°
C12	C13	C14	H141	179.1°	179.9°
C12	C13	C18	C17	0.5°	0.1°
C12	C13	C18	H181	179.5°	179.8°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	C16	0.8°	0.1°
C13	C14	C15	H151	179.2°	179.9°
C14	C13	C18	C17	179.7°	180.0°
C14	C13	C18	H181	0.3°	0.1°
C18	C13	C14	C15	180.0°	179.9°
C18	C13	C14	H141	0.0°	0.2°
C13	C18	C17	H181	180.0°	179.9°
C13	C18	C17	H171	179.5°	180.0°
C14	C15	C16	H151	180.0°	180.0°
C14	C15	C16	H161	179.2°	180.0°
H141	C14	C15	C16	179.2°	180.0°
H141	C14	C15	H151	0.8°	0.0°
H151	C15	C16	H161	0.8°	0.0°
H171	C17	C18	H181	0.5°	0.0°

Definition date:	2001-10-03
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1JZI