H16

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	CB	sing	1.53Å	1.56Å
CA	CF	sing	1.53Å	1.60Å
CA	S4	sing	1.81Å	1.82Å
CA	HA	sing	1.09Å	1.12Å
CB	CC	sing	1.53Å	1.54Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
CC	CD	sing	1.53Å	1.52Å
CC	HC1	sing	1.09Å	1.12Å
CC	HC2	sing	1.09Å	1.12Å
CD	CE	sing	1.53Å	1.54Å
CD	HD1	sing	1.09Å	1.11Å
CD	HD2	sing	1.09Å	1.11Å
CE	CF	sing	1.53Å	1.58Å
CE	HE1	sing	1.09Å	1.12Å
CE	HE2	sing	1.09Å	1.12Å
CF	HF1	sing	1.09Å	1.12Å
CF	HF2	sing	1.09Å	1.12Å
N1	C6	sing	1.34Å	1.40Å	Aromatic
N1	C2	sing	1.38Å	1.39Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C6	O2	doub	1.22Å	1.25Å
C6	C5	sing	1.40Å	1.49Å	Aromatic
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C11	sing	1.51Å	1.52Å
C4	S4	sing	1.76Å	1.83Å
C4	C3	sing	1.47Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.44Å	Aromatic
C2	C10	doub	1.39Å	1.40Å	Aromatic
C3	C7	doub	1.40Å	1.42Å	Aromatic
C7	C8	sing	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	CL	sing	1.74Å	1.70Å
C9	C10	sing	1.38Å	1.43Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å
C11	C12	sing	1.53Å	1.55Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C12	C13	sing	1.53Å	1.55Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.12Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C13	H133	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB	CA	CF	111.9°	109.5°
CB	CA	S4	109.4°	109.5°
CB	CA	HA	107.2°	109.5°
CA	CB	CC	112.1°	109.5°
CA	CB	HB1	111.2°	109.5°
CA	CB	HB2	111.2°	109.5°
CF	CA	S4	107.2°	109.5°
CF	CA	HA	109.3°	109.4°
CA	CF	CE	115.2°	109.5°
CA	CF	HF1	110.1°	109.5°
CA	CF	HF2	110.1°	109.4°
S4	CA	HA	111.8°	109.4°
CA	S4	C4	104.9°	100.0°
CC	CB	HB1	111.2°	109.4°
CC	CB	HB2	111.2°	109.5°
CB	CC	CD	110.6°	109.5°
CB	CC	HC1	111.8°	109.4°
CB	CC	HC2	111.8°	109.6°
HB1	CB	HB2	99.1°	109.4°
CD	CC	HC1	111.8°	109.4°
CD	CC	HC2	111.8°	109.5°
CC	CD	CE	111.2°	109.5°
CC	CD	HD1	111.6°	109.5°
CC	CD	HD2	111.6°	109.5°
HC1	CC	HC2	98.6°	109.4°
CE	CD	HD1	111.6°	109.5°
CE	CD	HD2	111.6°	109.4°
CD	CE	CF	113.5°	109.5°
CD	CE	HE1	110.7°	109.4°
CD	CE	HE2	110.7°	109.5°
HD1	CD	HD2	98.8°	109.5°
CF	CE	HE1	110.7°	109.5°
CF	CE	HE2	110.7°	109.6°
CE	CF	HF1	110.1°	109.5°
CE	CF	HF2	110.1°	109.4°
HE1	CE	HE2	99.6°	109.5°
HF1	CF	HF2	100.1°	109.5°
C6	N1	C2	120.9°	121.3°
C6	N1	HN1	120.1°	119.4°
N1	C6	O2	120.2°	119.0°
N1	C6	C5	118.0°	121.9°
C2	N1	HN1	118.9°	119.3°
N1	C2	C3	120.4°	119.7°
N1	C2	C10	119.5°	120.8°
O2	C6	C5	121.8°	119.0°
C6	C5	C4	119.7°	119.9°
C6	C5	C11	120.2°	120.0°
C4	C5	C11	119.9°	120.1°
C5	C4	S4	118.6°	120.9°
C5	C4	C3	120.8°	118.2°
C5	C11	C12	110.7°	109.5°
C5	C11	H111	111.8°	109.4°
C5	C11	H112	111.8°	109.5°
S4	C4	C3	120.6°	120.9°
C4	C3	C2	120.2°	118.9°
C4	C3	C7	120.8°	121.1°
C3	C2	C10	120.1°	119.5°
C2	C3	C7	119.0°	120.0°
C2	C10	C9	119.8°	119.9°
C2	C10	H10	119.2°	120.1°
C3	C7	C8	120.6°	119.6°
C3	C7	H7	120.1°	120.2°
C8	C7	H7	119.2°	120.3°
C7	C8	C9	120.2°	120.4°
C7	C8	CL	120.0°	119.8°
C9	C8	CL	119.7°	119.8°
C8	C9	C10	120.3°	120.6°
C8	C9	H9	119.0°	119.7°
C10	C9	H9	120.7°	119.7°
C9	C10	H10	121.0°	120.0°
C12	C11	H111	111.8°	109.5°
C12	C11	H112	111.8°	109.5°
C11	C12	C13	113.0°	109.5°
C11	C12	H121	110.9°	109.4°
C11	C12	H122	110.9°	109.5°
H111	C11	H112	98.6°	109.4°
C13	C12	H121	110.9°	109.5°
C13	C12	H122	110.9°	109.5°
C12	C13	H131	110.9°	109.5°
C12	C13	H132	113.0°	109.5°
C12	C13	H133	110.9°	109.5°
H121	C12	H122	99.4°	109.4°
H131	C13	H132	110.9°	109.5°
H131	C13	H133	99.4°	109.4°
H132	C13	H133	110.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB	CA	CF	S4	120.0°	120.1°
CB	CA	CF	HA	118.6°	120.1°
CB	CA	S4	HA	118.6°	120.0°
CA	CB	CC	HB1	125.3°	120.0°
CA	CB	CC	HB2	125.3°	120.1°
CA	CB	HB1	HB2	117.1°	120.0°
CA	CB	CC	CD	61.9°	59.9°
CA	CB	CC	HC1	63.4°	60.0°
CA	CB	CC	HC2	172.9°	180.0°
CB	CA	CF	CE	38.3°	60.0°
CB	CA	CF	HF1	86.9°	180.0°
CB	CA	CF	HF2	163.6°	60.0°
CB	CA	S4	C4	109.8°	66.9°
CF	CA	S4	HA	119.9°	119.9°
CF	CA	CB	CC	48.7°	60.0°
CF	CA	CB	HB1	173.9°	60.0°
CF	CA	CB	HB2	76.6°	180.0°
CA	CF	CE	CD	40.1°	59.9°
CA	CF	CE	HF1	125.2°	120.1°
CA	CF	CE	HF2	125.3°	119.9°
CA	CF	CE	HE1	85.2°	60.0°
CA	CF	CE	HE2	165.4°	180.0°
CA	CF	HF1	HF2	115.9°	120.0°
CF	CA	S4	C4	128.6°	173.0°
S4	CA	CB	CC	167.4°	180.0°
S4	CA	CB	HB1	67.4°	60.0°
S4	CA	CB	HB2	42.1°	60.0°
S4	CA	CF	CE	158.3°	180.0°
S4	CA	CF	HF1	33.0°	59.9°
S4	CA	CF	HF2	76.4°	60.1°
CA	S4	C4	C5	99.4°	113.6°
CA	S4	C4	C3	83.1°	66.3°
HA	CA	CB	CC	71.2°	60.0°
HA	CA	CB	HB1	54.1°	180.0°
HA	CA	CB	HB2	163.5°	60.0°
HA	CA	CF	CE	80.3°	60.1°
HA	CA	CF	HF1	154.5°	60.0°
HA	CA	CF	HF2	45.0°	180.0°
HA	CA	S4	C4	8.8°	53.2°
CC	CB	HB1	HB2	117.1°	120.0°
CB	CC	CD	HC1	125.2°	119.9°
CB	CC	CD	HC2	125.3°	120.1°
CB	CC	HC1	HC2	117.7°	120.1°
CB	CC	CD	CE	62.7°	59.9°
CB	CC	CD	HD1	172.1°	179.9°
CB	CC	CD	HD2	62.6°	60.0°
HB1	CB	CC	CD	172.9°	60.1°
HB1	CB	CC	HC1	61.9°	180.0°
HB1	CB	CC	HC2	47.6°	60.0°
HB2	CB	CC	CD	63.4°	180.0°
HB2	CB	CC	HC1	171.3°	60.1°
HB2	CB	CC	HC2	61.9°	59.9°
CD	CC	HC1	HC2	117.7°	119.9°
CC	CD	CE	HD1	125.3°	120.1°
CC	CD	CE	HD2	125.3°	120.0°
CC	CD	HD1	HD2	117.5°	120.1°
CC	CD	CE	CF	51.6°	59.9°
CC	CD	CE	HE1	73.6°	60.0°
CC	CD	CE	HE2	176.9°	180.0°
HC1	CC	CD	CE	62.6°	60.0°
HC1	CC	CD	HD1	62.7°	60.0°
HC1	CC	CD	HD2	172.2°	179.9°
HC2	CC	CD	CE	172.1°	180.0°
HC2	CC	CD	HD1	46.8°	59.9°
HC2	CC	CD	HD2	62.7°	60.1°
CE	CD	HD1	HD2	117.5°	119.9°
CD	CE	CF	HE1	125.3°	119.9°
CD	CE	CF	HE2	125.3°	120.1°
CD	CE	HE1	HE2	116.6°	120.0°
CD	CE	CF	HF1	85.1°	180.0°
CD	CE	CF	HF2	165.4°	60.0°
HD1	CD	CE	CF	176.9°	180.0°
HD1	CD	CE	HE1	51.7°	60.0°
HD1	CD	CE	HE2	57.8°	59.9°
HD2	CD	CE	CF	73.6°	60.1°
HD2	CD	CE	HE1	161.1°	180.0°
HD2	CD	CE	HE2	51.7°	60.0°
CF	CE	HE1	HE2	116.6°	120.1°
CE	CF	HF1	HF2	116.0°	119.9°
HE1	CE	CF	HF1	149.6°	60.1°
HE1	CE	CF	HF2	40.1°	180.0°
HE2	CE	CF	HF1	40.1°	59.9°
HE2	CE	CF	HF2	69.4°	60.0°
C6	N1	C2	HN1	180.0°	179.7°
N1	C6	O2	C5	178.4°	179.4°
N1	C6	C5	C4	1.0°	0.6°
N1	C6	C5	C11	173.5°	179.7°
C6	N1	C2	C3	0.5°	0.2°
C6	N1	C2	C10	177.4°	179.6°
C2	N1	C6	O2	178.7°	180.0°
C2	N1	C6	C5	0.2°	0.6°
N1	C2	C3	C4	0.4°	0.1°
N1	C2	C3	C10	177.9°	179.8°
N1	C2	C3	C7	178.4°	180.0°
N1	C2	C10	C9	178.2°	180.0°
N1	C2	C10	H10	1.8°	0.1°
HN1	N1	C6	O2	1.4°	0.3°
HN1	N1	C6	C5	179.8°	179.7°
HN1	N1	C2	C3	179.5°	179.9°
HN1	N1	C2	C10	2.6°	0.1°
O2	C6	C5	C4	179.4°	180.0°
O2	C6	C5	C11	4.9°	0.3°
C6	C5	C4	C11	174.5°	179.7°
C6	C5	C4	S4	178.6°	179.7°
C6	C5	C4	C3	1.1°	0.3°
C6	C5	C11	C12	79.2°	85.6°
C6	C5	C11	H111	155.6°	154.4°
C6	C5	C11	H112	46.1°	34.5°
C5	C4	S4	C3	177.5°	180.0°
C5	C4	C3	C2	0.4°	0.1°
C5	C4	C3	C7	177.6°	180.0°
C4	C5	C11	C12	95.3°	94.6°
C4	C5	C11	H111	30.0°	25.3°
C4	C5	C11	H112	139.4°	145.3°
C11	C5	C4	S4	4.1°	0.0°
C11	C5	C4	C3	173.4°	180.0°
C5	C11	C12	H111	125.3°	120.0°
C5	C11	C12	H112	125.3°	120.1°
C5	C11	H111	H112	117.7°	120.0°
C5	C11	C12	C13	102.1°	175.0°
C5	C11	C12	H121	132.6°	65.0°
C5	C11	C12	H122	23.2°	55.0°
S4	C4	C3	C2	177.9°	180.0°
S4	C4	C3	C7	0.1°	0.0°
C4	C3	C2	C7	178.0°	179.9°
C4	C3	C2	C10	177.5°	179.9°
C4	C3	C7	C8	177.5°	180.0°
C4	C3	C7	H7	2.4°	0.0°
C2	C3	C7	C8	0.5°	0.1°
C2	C3	C7	H7	179.6°	179.9°
C3	C2	C10	C9	0.3°	0.1°
C3	C2	C10	H10	179.7°	179.9°
C10	C2	C3	C7	0.6°	0.1°
C2	C10	C9	C8	0.1°	0.0°
C2	C10	C9	H10	180.0°	180.0°
C2	C10	C9	H9	179.9°	179.9°
C3	C7	C8	H7	180.0°	180.0°
C3	C7	C8	C9	0.1°	0.0°
C3	C7	C8	CL	179.8°	180.0°
C7	C8	C9	CL	179.7°	180.0°
C7	C8	C9	C10	0.2°	0.0°
C7	C8	C9	H9	179.8°	179.9°
H7	C7	C8	C9	179.9°	180.0°
H7	C7	C8	CL	0.2°	0.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	H10	179.9°	180.0°
CL	C8	C9	C10	179.6°	180.0°
CL	C8	C9	H9	0.4°	0.1°
H9	C9	C10	H10	0.1°	0.1°
C12	C11	H111	H112	117.6°	120.0°
C11	C12	C13	H121	125.2°	120.0°
C11	C12	C13	H122	125.3°	120.1°
C11	C12	H121	H122	116.8°	120.0°
C11	C12	C13	H131	54.7°	175.0°
C11	C12	C13	H132	180.0°	64.9°
C11	C12	C13	H133	54.7°	55.1°
H111	C11	C12	C13	23.2°	55.1°
H111	C11	C12	H121	102.1°	175.0°
H111	C11	C12	H122	148.5°	65.0°
H112	C11	C12	C13	132.6°	64.9°
H112	C11	C12	H121	7.4°	55.1°
H112	C11	C12	H122	102.1°	175.0°
C13	C12	H121	H122	116.8°	120.0°
C12	C13	H131	H132	126.5°	120.1°
C12	C13	H131	H133	116.8°	120.0°
C12	C13	H132	H133	125.3°	120.0°
H121	C12	C13	H131	179.9°	65.0°
H121	C12	C13	H132	54.8°	55.1°
H121	C12	C13	H133	70.5°	175.0°
H122	C12	C13	H131	70.6°	55.0°
H122	C12	C13	H132	54.7°	175.0°
H122	C12	C13	H133	180.0°	65.0°
H131	C13	H132	H133	109.4°	120.0°

Definition date:	2004-07-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1TKZ