I06

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.38Å	1.38Å	Aromatic
C7	C12	sing	1.38Å	1.39Å	Aromatic
C7	H71	sing	1.08Å	1.10Å
C8	C9	sing	1.39Å	1.38Å	Aromatic
C8	H81	sing	1.08Å	1.10Å
C9	C10	doub	1.41Å	1.40Å	Aromatic
C9	C13	sing	1.48Å	1.46Å	Aromatic
C10	C11	sing	1.39Å	1.41Å	Aromatic
C10	C16	sing	1.48Å	1.47Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	H111	sing	1.08Å	1.10Å
C12	H121	sing	1.08Å	1.10Å
C13	O13	doub	1.22Å	1.21Å
C13	N14	sing	1.35Å	1.32Å	Aromatic
N14	N15	sing	1.40Å	1.41Å	Aromatic
N14	CA	sing	1.46Å	1.46Å
N15	C16	sing	1.35Å	1.35Å	Aromatic
N15	H15	sing	0.97Å	1.02Å
C16	O16	doub	1.22Å	1.24Å
CA	CB	sing	1.53Å	1.50Å
CA	HA1	sing	1.09Å	1.11Å
CA	HA2	sing	1.09Å	1.11Å
CB	CG	sing	1.51Å	1.48Å
CB	HB1	sing	1.09Å	1.12Å
CB	HB2	sing	1.09Å	1.11Å
CG	CD1	doub	1.38Å	1.38Å	Aromatic
CG	CD2	sing	1.38Å	1.39Å	Aromatic
CD1	CE1	sing	1.38Å	1.38Å	Aromatic
CD1	HD11	sing	1.08Å	1.10Å
CD2	CE2	doub	1.38Å	1.39Å	Aromatic
CD2	HD21	sing	1.08Å	1.10Å
CE1	CZ	doub	1.38Å	1.40Å	Aromatic
CE1	HE11	sing	1.08Å	1.10Å
CE2	CZ	sing	1.38Å	1.38Å	Aromatic
CE2	HE21	sing	1.08Å	1.10Å
CZ	HZ1	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C12	120.6°	120.5°
C8	C7	H71	119.1°	119.8°
C7	C8	C9	120.2°	119.7°
C7	C8	H81	119.8°	120.2°
C12	C7	H71	120.3°	119.7°
C7	C12	C11	119.9°	120.5°
C7	C12	H121	120.0°	119.8°
C9	C8	H81	120.0°	120.2°
C8	C9	C10	120.3°	119.8°
C8	C9	C13	118.7°	121.6°
C10	C9	C13	121.0°	118.6°
C9	C10	C11	119.5°	119.9°
C9	C10	C16	120.5°	118.5°
C9	C13	O13	124.0°	120.3°
C9	C13	N14	115.6°	119.5°
C11	C10	C16	120.0°	121.6°
C10	C11	C12	119.5°	119.7°
C10	C11	H111	120.6°	120.2°
C10	C16	N15	115.2°	119.5°
C10	C16	O16	124.0°	120.2°
C12	C11	H111	119.9°	120.2°
C11	C12	H121	120.1°	119.7°
O13	C13	N14	120.4°	120.2°
C13	N14	N15	124.7°	121.9°
C13	N14	CA	125.4°	119.0°
N15	N14	CA	109.8°	119.1°
N14	N15	C16	123.0°	122.0°
N14	N15	H15	120.8°	119.0°
N14	CA	CB	106.9°	109.5°
N14	CA	HA1	113.2°	109.5°
N14	CA	HA2	113.2°	109.4°
C16	N15	H15	116.2°	119.0°
N15	C16	O16	120.8°	120.3°
CB	CA	HA1	113.1°	109.5°
CB	CA	HA2	113.1°	109.5°
CA	CB	CG	112.5°	109.4°
CA	CB	HB1	111.1°	109.5°
CA	CB	HB2	111.1°	109.5°
HA1	CA	HA2	97.3°	109.5°
CG	CB	HB1	111.0°	109.4°
CG	CB	HB2	111.0°	109.5°
CB	CG	CD1	119.9°	120.0°
CB	CG	CD2	120.7°	120.0°
HB1	CB	HB2	99.3°	109.5°
CD1	CG	CD2	119.0°	120.0°
CG	CD1	CE1	120.6°	120.0°
CG	CD1	HD11	119.6°	120.0°
CG	CD2	CE2	121.1°	120.0°
CG	CD2	HD21	119.6°	119.9°
CE1	CD1	HD11	119.8°	120.0°
CD1	CE1	CZ	120.0°	120.0°
CD1	CE1	HE11	119.3°	119.9°
CE2	CD2	HD21	119.3°	120.0°
CD2	CE2	CZ	119.4°	120.0°
CD2	CE2	HE21	120.5°	120.0°
CZ	CE1	HE11	120.7°	120.0°
CE1	CZ	CE2	119.8°	120.0°
CE1	CZ	HZ1	120.8°	120.0°
CZ	CE2	HE21	120.1°	120.0°
CE2	CZ	HZ1	119.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C12	H71	179.9°	180.0°
C7	C8	C9	H81	180.0°	180.0°
C7	C8	C9	C10	0.9°	0.2°
C7	C8	C9	C13	179.8°	180.0°
C8	C7	C12	C11	0.4°	0.0°
C8	C7	C12	H121	179.6°	180.0°
C12	C7	C8	C9	0.4°	0.0°
C12	C7	C8	H81	179.6°	180.0°
C7	C12	C11	C10	0.9°	0.3°
C7	C12	C11	H121	180.0°	180.0°
C7	C12	C11	H111	179.2°	180.0°
H71	C7	C8	C9	179.7°	180.0°
H71	C7	C8	H81	0.3°	0.0°
H71	C7	C12	C11	179.7°	180.0°
H71	C7	C12	H121	0.3°	0.0°
C8	C9	C10	C13	178.9°	179.7°
C8	C9	C10	C11	1.4°	0.5°
C8	C9	C10	C16	179.7°	179.8°
C8	C9	C13	O13	0.5°	0.0°
C8	C9	C13	N14	179.3°	180.0°
H81	C8	C9	C10	179.1°	179.7°
H81	C8	C9	C13	0.1°	0.0°
C9	C10	C11	C16	178.9°	179.3°
C9	C10	C11	C12	1.4°	0.5°
C9	C10	C11	H111	178.7°	179.8°
C10	C9	C13	O13	179.5°	179.7°
C10	C9	C13	N14	0.4°	0.3°
C9	C10	C16	N15	0.9°	0.4°
C9	C10	C16	O16	179.7°	179.7°
C13	C9	C10	C11	179.7°	179.8°
C13	C9	C10	C16	0.8°	0.5°
C9	C13	O13	N14	179.8°	179.9°
C9	C13	N14	N15	0.1°	0.1°
C9	C13	N14	CA	177.9°	180.0°
C10	C11	C12	H111	180.0°	179.7°
C10	C11	C12	H121	179.1°	179.7°
C11	C10	C16	N15	179.8°	179.7°
C11	C10	C16	O16	1.5°	0.4°
C16	C10	C11	C12	179.7°	179.8°
C16	C10	C11	H111	0.2°	0.5°
C10	C16	N15	N14	0.6°	0.2°
C10	C16	N15	O16	178.8°	179.9°
C10	C16	N15	H15	179.4°	179.8°
H111	C11	C12	H121	0.8°	0.0°
O13	C13	N14	N15	179.8°	180.0°
O13	C13	N14	CA	1.9°	0.0°
C13	N14	N15	CA	178.1°	179.9°
C13	N14	N15	C16	0.2°	0.0°
C13	N14	N15	H15	179.8°	179.9°
C13	N14	CA	CB	76.1°	90.0°
C13	N14	CA	HA1	158.6°	30.1°
C13	N14	CA	HA2	49.1°	150.1°
N14	N15	C16	H15	180.0°	180.0°
N14	N15	C16	O16	179.4°	180.0°
N15	N14	CA	CB	102.0°	90.0°
N15	N14	CA	HA1	23.3°	150.0°
N15	N14	CA	HA2	132.8°	30.0°
CA	N14	N15	C16	178.3°	180.0°
CA	N14	N15	H15	1.6°	0.0°
N14	CA	CB	HA1	125.3°	120.0°
N14	CA	CB	HA2	125.3°	119.9°
N14	CA	HA1	HA2	119.1°	119.9°
N14	CA	CB	CG	49.2°	180.0°
N14	CA	CB	HB1	174.4°	60.0°
N14	CA	CB	HB2	76.0°	60.0°
H15	N15	C16	O16	0.6°	0.1°
CB	CA	HA1	HA2	119.1°	120.0°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.3°	120.0°
CA	CB	HB1	HB2	117.0°	120.0°
CA	CB	CG	CD1	80.5°	90.0°
CA	CB	CG	CD2	91.8°	90.3°
HA1	CA	CB	CG	76.1°	60.0°
HA1	CA	CB	HB1	49.2°	180.0°
HA1	CA	CB	HB2	158.7°	60.0°
HA2	CA	CB	CG	174.5°	60.0°
HA2	CA	CB	HB1	60.3°	59.9°
HA2	CA	CB	HB2	49.2°	180.0°
CG	CB	HB1	HB2	116.9°	120.0°
CB	CG	CD1	CD2	172.5°	179.7°
CB	CG	CD1	CE1	171.6°	180.0°
CB	CG	CD1	HD11	8.5°	0.0°
CB	CG	CD2	CE2	171.4°	179.8°
CB	CG	CD2	HD21	8.6°	0.2°
HB1	CB	CG	CD1	44.7°	30.0°
HB1	CB	CG	CD2	142.9°	149.7°
HB2	CB	CG	CD1	154.2°	150.0°
HB2	CB	CG	CD2	33.5°	29.7°
CG	CD1	CE1	HD11	179.9°	180.0°
CD1	CG	CD2	CE2	1.0°	0.5°
CD1	CG	CD2	HD21	179.0°	179.9°
CG	CD1	CE1	CZ	0.2°	0.1°
CG	CD1	CE1	HE11	179.8°	180.0°
CD2	CG	CD1	CE1	0.9°	0.3°
CD2	CG	CD1	HD11	179.1°	179.7°
CG	CD2	CE2	HD21	179.9°	179.6°
CG	CD2	CE2	CZ	0.4°	0.5°
CG	CD2	CE2	HE21	179.6°	179.8°
CD1	CE1	CZ	HE11	180.0°	179.9°
CD1	CE1	CZ	CE2	0.3°	0.1°
CD1	CE1	CZ	HZ1	179.7°	180.0°
HD11	CD1	CE1	CZ	179.7°	179.9°
HD11	CD1	CE1	HE11	0.3°	0.1°
CD2	CE2	CZ	CE1	0.2°	0.3°
CD2	CE2	CZ	HE21	180.0°	179.7°
CD2	CE2	CZ	HZ1	179.8°	179.8°
HD21	CD2	CE2	CZ	179.5°	179.9°
HD21	CD2	CE2	HE21	0.4°	0.2°
CE1	CZ	CE2	HZ1	180.0°	179.9°
CE1	CZ	CE2	HE21	179.7°	180.0°
HE11	CE1	CZ	CE2	179.6°	180.0°
HE11	CE1	CZ	HZ1	0.3°	0.1°
HE21	CE2	CZ	HZ1	0.3°	0.1°

Definition date:	2000-02-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1EEF