Obsolete: THL

THL was replaced with THG on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.46Å	1.46Å
N	C	sing	1.35Å	1.37Å
N	HN	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.54Å
CA	CT	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.11Å
C	O	doub	1.22Å	1.24Å
C	C11	sing	1.48Å	1.52Å
C4	O4	doub	1.22Å	1.26Å
C4	C4A	sing	1.41Å	1.53Å	Aromatic
C4	N3	sing	1.34Å	1.39Å	Aromatic
C4A	N5	sing	1.41Å	1.48Å
C4A	C8A	doub	1.37Å	1.49Å	Aromatic
N5	C6	sing	1.47Å	1.51Å
N5	HN5	sing	0.97Å	1.02Å
C6	C7	sing	1.54Å	1.56Å
C6	C9	sing	1.53Å	1.54Å
C6	H6	sing	1.09Å	1.12Å
C7	N8	sing	1.47Å	1.49Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.11Å
N8	C8A	sing	1.38Å	1.40Å
N8	HN8	sing	0.97Å	1.02Å
C8A	N1	sing	1.37Å	1.38Å	Aromatic
C9	N10	sing	1.47Å	1.46Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
N10	C14	sing	1.39Å	1.36Å
N10	H10	sing	0.97Å	1.02Å
C11	C12	doub	1.40Å	1.44Å	Aromatic
C11	C16	sing	1.40Å	1.44Å	Aromatic
C12	C13	sing	1.38Å	1.46Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.39Å	1.46Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.39Å	1.45Å	Aromatic
C15	C16	doub	1.38Å	1.41Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
NA2	C2	sing	1.37Å	1.38Å
NA2	HA21	sing	0.97Å	1.02Å
NA2	HA22	sing	0.97Å	1.02Å
N3	C2	doub	1.32Å	1.39Å	Aromatic
N1	C2	sing	1.36Å	1.36Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
CB	CG	sing	1.53Å	1.52Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
CG	CD	sing	1.51Å	1.52Å
CG	HG1	sing	1.09Å	1.11Å
CG	HG2	sing	1.09Å	1.11Å
CD	OE1	sing	1.34Å	1.23Å
CD	OE2	doub	1.21Å	1.34Å
OE1	HE1	sing	0.97Å	0.95Å
CT	O1	doub	1.21Å	1.23Å
CT	O2	sing	1.34Å	1.33Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	C	124.5°	120.0°
CA	N	HN	121.2°	120.0°
N	CA	CB	102.9°	109.5°
N	CA	CT	107.5°	109.5°
N	CA	HA	116.3°	109.5°
C	N	HN	114.3°	120.0°
N	C	O	120.6°	120.0°
N	C	C11	117.7°	120.0°
CB	CA	CT	113.7°	109.5°
CB	CA	HA	110.5°	109.5°
CA	CB	CG	114.8°	109.5°
CA	CB	HB1	110.3°	109.4°
CA	CB	HB2	110.3°	109.5°
CT	CA	HA	106.1°	109.5°
CA	CT	O1	122.6°	120.0°
CA	CT	O2	118.7°	120.0°
O	C	C11	121.7°	120.0°
C	C11	C12	123.9°	120.1°
C	C11	C16	116.2°	120.1°
O4	C4	C4A	119.3°	120.4°
O4	C4	N3	121.7°	120.3°
C4A	C4	N3	118.9°	119.3°
C4	C4A	N5	129.5°	120.6°
C4	C4A	C8A	114.4°	119.2°
C4	N3	C2	122.0°	121.1°
N5	C4A	C8A	116.1°	120.2°
C4A	N5	C6	122.8°	118.5°
C4A	N5	HN5	107.4°	120.7°
C4A	C8A	N8	115.9°	120.4°
C4A	C8A	N1	121.2°	119.0°
C6	N5	HN5	107.5°	120.8°
N5	C6	C7	108.1°	107.9°
N5	C6	C9	111.9°	109.8°
N5	C6	H6	108.2°	109.7°
C7	C6	C9	107.7°	109.8°
C7	C6	H6	112.3°	109.7°
C6	C7	N8	111.8°	108.2°
C6	C7	H71	111.3°	109.7°
C6	C7	H72	111.4°	109.7°
C9	C6	H6	108.6°	109.8°
C6	C9	N10	114.4°	109.5°
C6	C9	H91	110.4°	109.5°
C6	C9	H92	110.4°	109.4°
N8	C7	H71	111.4°	109.7°
N8	C7	H72	111.3°	109.8°
C7	N8	C8A	129.3°	119.1°
C7	N8	HN8	105.3°	120.4°
H71	C7	H72	99.0°	109.8°
C8A	N8	HN8	105.3°	120.4°
N8	C8A	N1	122.9°	120.6°
C8A	N1	C2	122.0°	120.0°
C8A	N1	HN1	107.8°	120.0°
N10	C9	H91	110.4°	109.5°
N10	C9	H92	110.4°	109.5°
C9	N10	C14	119.3°	120.0°
C9	N10	H10	108.7°	120.0°
H91	C9	H92	99.9°	109.5°
C14	N10	H10	108.6°	120.0°
N10	C14	C13	120.0°	119.9°
N10	C14	C15	120.8°	120.0°
C12	C11	C16	119.9°	119.9°
C11	C12	C13	119.0°	119.9°
C11	C12	H12	119.9°	120.0°
C11	C16	C15	121.4°	119.9°
C11	C16	H16	120.5°	120.0°
C13	C12	H12	121.1°	120.1°
C12	C13	C14	120.2°	120.1°
C12	C13	H13	120.0°	119.9°
C14	C13	H13	119.8°	120.0°
C13	C14	C15	119.3°	120.1°
C14	C15	C16	120.1°	120.1°
C14	C15	H15	121.2°	119.9°
C16	C15	H15	118.6°	119.9°
C15	C16	H16	118.1°	120.0°
C2	NA2	HA21	107.6°	120.0°
C2	NA2	HA22	122.5°	120.0°
NA2	C2	N3	122.5°	119.3°
NA2	C2	N1	116.0°	119.3°
HA21	NA2	HA22	107.6°	120.0°
N3	C2	N1	121.5°	121.4°
C2	N1	HN1	107.7°	120.0°
CG	CB	HB1	110.3°	109.5°
CG	CB	HB2	110.3°	109.5°
CB	CG	CD	114.1°	109.5°
CB	CG	HG1	110.5°	109.5°
CB	CG	HG2	110.5°	109.4°
HB1	CB	HB2	100.0°	109.5°
CD	CG	HG1	110.5°	109.5°
CD	CG	HG2	110.5°	109.5°
CG	CD	OE1	117.2°	120.0°
CG	CD	OE2	123.3°	120.0°
HG1	CG	HG2	99.8°	109.5°
OE1	CD	OE2	119.5°	120.0°
CD	OE1	HE1	117.2°	120.0°
O1	CT	O2	118.7°	120.0°
CT	O2	HO2	118.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	C	HN	180.0°	180.0°
N	CA	CB	CT	116.0°	120.0°
N	CA	CB	HA	124.9°	120.0°
N	CA	CT	HA	125.1°	120.0°
CA	N	C	O	0.1°	0.1°
CA	N	C	C11	179.0°	180.0°
N	CA	CB	CG	179.4°	65.0°
N	CA	CB	HB1	55.4°	55.0°
N	CA	CB	HB2	54.1°	175.0°
N	CA	CT	O1	150.4°	0.0°
N	CA	CT	O2	29.8°	180.0°
C	N	CA	CB	82.8°	155.0°
C	N	CA	CT	156.9°	85.0°
C	N	CA	HA	38.2°	35.0°
N	C	O	C11	178.9°	179.9°
N	C	C11	C12	22.4°	180.0°
N	C	C11	C16	157.2°	0.1°
HN	N	CA	CB	97.3°	25.0°
HN	N	CA	CT	23.1°	95.0°
HN	N	CA	HA	141.8°	145.0°
HN	N	C	O	180.0°	179.9°
HN	N	C	C11	1.0°	0.0°
CB	CA	CT	HA	121.6°	120.0°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.2°	120.0°
CA	CB	HB1	HB2	116.1°	120.0°
CA	CB	CG	CD	179.8°	180.0°
CA	CB	CG	HG1	54.6°	60.0°
CA	CB	CG	HG2	54.9°	60.0°
CB	CA	CT	O1	96.4°	120.0°
CB	CA	CT	O2	83.5°	60.0°
CT	CA	CB	CG	64.6°	174.9°
CT	CA	CB	HB1	60.6°	65.1°
CT	CA	CB	HB2	170.1°	54.9°
CA	CT	O1	O2	179.9°	180.0°
CA	CT	O2	HO2	180.0°	180.0°
HA	CA	CB	CG	54.5°	55.0°
HA	CA	CB	HB1	179.8°	175.0°
HA	CA	CB	HB2	70.7°	65.0°
HA	CA	CT	O1	25.2°	120.0°
HA	CA	CT	O2	154.9°	60.0°
O	C	C11	C12	158.7°	0.1°
O	C	C11	C16	21.7°	180.0°
C	C11	C12	C16	179.5°	179.9°
C	C11	C12	C13	179.2°	180.0°
C	C11	C12	H12	0.8°	0.0°
C	C11	C16	C15	179.3°	179.8°
C	C11	C16	H16	0.8°	0.0°
O4	C4	C4A	N3	179.1°	180.0°
O4	C4	C4A	N5	0.8°	0.4°
O4	C4	C4A	C8A	179.6°	179.8°
O4	C4	N3	C2	179.9°	179.9°
C4	C4A	N5	C8A	178.8°	179.8°
C4	C4A	N5	C6	155.8°	164.2°
C4	C4A	N5	HN5	30.5°	15.8°
C4	C4A	C8A	N8	179.6°	179.7°
C4	C4A	C8A	N1	1.4°	0.0°
C4A	C4	N3	C2	1.0°	0.1°
N3	C4	C4A	N5	179.9°	179.6°
N3	C4	C4A	C8A	1.2°	0.2°
C4	N3	C2	NA2	179.8°	179.9°
C4	N3	C2	N1	0.8°	0.3°
C4A	N5	C6	HN5	125.2°	180.0°
C4A	N5	C6	C7	45.3°	43.8°
C4A	N5	C6	C9	73.2°	75.9°
C4A	N5	C6	H6	167.2°	163.3°
N5	C4A	C8A	N8	0.6°	0.4°
N5	C4A	C8A	N1	179.6°	179.8°
C8A	C4A	N5	C6	25.4°	16.0°
C8A	C4A	N5	HN5	150.6°	164.0°
C4A	C8A	N8	C7	1.0°	17.3°
C4A	C8A	N8	N1	179.0°	179.7°
C4A	C8A	N8	HN8	124.3°	162.7°
C4A	C8A	N1	C2	1.3°	0.3°
C4A	C8A	N1	HN1	124.0°	179.9°
N5	C6	C7	C9	121.1°	119.7°
N5	C6	C7	H6	119.3°	119.5°
N5	C6	C9	H6	119.4°	120.8°
N5	C6	C7	N8	40.1°	55.7°
N5	C6	C7	H71	165.4°	175.3°
N5	C6	C7	H72	85.1°	64.0°
N5	C6	C9	N10	59.4°	56.5°
N5	C6	C9	H91	175.3°	63.5°
N5	C6	C9	H92	65.9°	176.5°
HN5	N5	C6	C7	170.5°	136.2°
HN5	N5	C6	C9	52.1°	104.1°
HN5	N5	C6	H6	67.6°	16.7°
C7	C6	C9	H6	121.9°	120.7°
C6	C7	N8	H71	125.3°	119.6°
C6	C7	N8	H72	125.3°	119.7°
C6	C7	H71	H72	117.2°	120.6°
C6	C7	N8	C8A	22.6°	45.3°
C6	C7	N8	HN8	102.6°	134.6°
C7	C6	C9	N10	178.1°	175.0°
C7	C6	C9	H91	56.6°	55.0°
C7	C6	C9	H92	52.9°	65.0°
C9	C6	C7	N8	81.0°	64.0°
C9	C6	C7	H71	44.3°	55.7°
C9	C6	C7	H72	153.8°	176.3°
C6	C9	N10	H91	125.3°	120.0°
C6	C9	N10	H92	125.3°	120.0°
C6	C9	H91	H92	116.3°	120.0°
C6	C9	N10	C14	133.8°	180.0°
C6	C9	N10	H10	8.6°	0.0°
H6	C6	C7	N8	159.5°	175.2°
H6	C6	C7	H71	75.2°	65.1°
H6	C6	C7	H72	34.2°	55.5°
H6	C6	C9	N10	60.0°	64.3°
H6	C6	C9	H91	65.3°	175.7°
H6	C6	C9	H92	174.8°	55.7°
N8	C7	H71	H72	117.2°	120.7°
C7	N8	C8A	HN8	125.3°	180.0°
C7	N8	C8A	N1	179.9°	163.0°
H71	C7	N8	C8A	147.9°	165.0°
H71	C7	N8	HN8	22.6°	15.0°
H72	C7	N8	C8A	102.6°	74.3°
H72	C7	N8	HN8	132.1°	105.7°
N8	C8A	N1	C2	179.8°	179.9°
N8	C8A	N1	HN1	54.9°	0.4°
HN8	N8	C8A	N1	54.7°	17.0°
C8A	N1	C2	NA2	179.7°	179.7°
C8A	N1	C2	N3	0.9°	0.4°
C8A	N1	C2	HN1	125.3°	179.5°
N10	C9	H91	H92	116.2°	120.0°
C9	N10	C14	H10	125.3°	179.9°
C9	N10	C14	C13	133.3°	180.0°
C9	N10	C14	C15	46.3°	0.3°
H91	C9	N10	C14	100.9°	60.1°
H91	C9	N10	H10	133.8°	120.0°
H92	C9	N10	C14	8.5°	60.0°
H92	C9	N10	H10	116.7°	119.9°
N10	C14	C13	C12	179.3°	180.0°
N10	C14	C13	C15	179.6°	179.7°
N10	C14	C13	H13	0.7°	0.1°
N10	C14	C15	C16	179.3°	179.8°
N10	C14	C15	H15	0.8°	0.3°
H10	N10	C14	C13	101.4°	0.1°
H10	N10	C14	C15	79.0°	179.7°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.0°
C11	C12	C13	H13	180.0°	180.0°
C12	C11	C16	C15	0.3°	0.3°
C12	C11	C16	H16	179.7°	180.0°
C16	C11	C12	C13	0.3°	0.0°
C16	C11	C12	H12	179.7°	180.0°
C11	C16	C15	C14	0.1°	0.6°
C11	C16	C15	H16	180.0°	179.8°
C11	C16	C15	H15	179.9°	180.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.3°	0.3°
H12	C12	C13	C14	180.0°	180.0°
H12	C12	C13	H13	0.0°	0.0°
C13	C14	C15	C16	0.3°	0.6°
C13	C14	C15	H15	179.6°	180.0°
H13	C13	C14	C15	179.7°	179.7°
C14	C15	C16	H15	180.0°	179.5°
C14	C15	C16	H16	180.0°	179.7°
H15	C15	C16	H16	0.1°	0.2°
C2	NA2	HA21	HA22	133.7°	179.8°
NA2	C2	N3	N1	179.4°	179.8°
NA2	C2	N1	HN1	55.1°	0.2°
HA21	NA2	C2	N3	54.7°	0.1°
HA21	NA2	C2	N1	125.8°	179.7°
HA22	NA2	C2	N3	180.0°	179.7°
HA22	NA2	C2	N1	0.6°	0.5°
N3	C2	N1	HN1	124.3°	180.0°
CG	CB	HB1	HB2	116.1°	120.0°
CB	CG	CD	HG1	125.3°	120.1°
CB	CG	CD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	116.3°	120.0°
CB	CG	CD	OE1	179.9°	179.9°
CB	CG	CD	OE2	0.1°	0.0°
HB1	CB	CG	CD	54.9°	60.0°
HB1	CB	CG	HG1	179.8°	180.0°
HB1	CB	CG	HG2	70.4°	59.9°
HB2	CB	CG	CD	54.6°	60.0°
HB2	CB	CG	HG1	70.7°	60.0°
HB2	CB	CG	HG2	179.9°	180.0°
CD	CG	HG1	HG2	116.4°	120.0°
CG	CD	OE1	OE2	179.8°	180.0°
CG	CD	OE1	HE1	180.0°	180.0°
HG1	CG	CD	OE1	54.6°	60.0°
HG1	CG	CD	OE2	125.1°	120.0°
HG2	CG	CD	OE1	54.8°	60.0°
HG2	CG	CD	OE2	125.4°	120.0°
OE2	CD	OE1	HE1	0.2°	0.1°
O1	CT	O2	HO2	0.1°	0.0°

Definition date:	2004-08-24
Last modified:	2012-05-10
Release status:	OBS
Processing site:	EBI
Replaced by:	THG
Derived from:	1WOO