Obsolete: GTH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C9	sing	1.46Å	1.49Å
N	C13	sing	1.35Å	1.34Å
N	HN	sing	0.97Å	1.03Å
N1	CA	sing	1.47Å	1.50Å
N1	HN11	sing	1.01Å	1.03Å
N1	HN12	sing	1.01Å	1.02Å
CA	C	sing	1.51Å	1.57Å
CA	CB	sing	1.53Å	1.57Å
CA	HA	sing	1.09Å	1.11Å
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.35Å
OXT	HXT	sing	0.97Å	0.95Å
CB	CG	sing	1.53Å	1.56Å
CB	O8	sing	1.43Å	1.47Å
CB	HB	sing	1.09Å	1.11Å
CG	HG1	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.11Å
C1	O1	sing	1.43Å	1.45Å
C1	C5	sing	1.53Å	1.56Å
C1	C6	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.11Å
O1	C2	sing	1.43Å	1.46Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
O2	C10	sing	1.43Å	1.45Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.96Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.56Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.96Å
C5	O5	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.11Å
O5	HO5	sing	0.97Å	0.96Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.96Å
C7	O7	sing	1.43Å	1.45Å
C7	C11	sing	1.53Å	1.56Å
C7	C12	sing	1.53Å	1.54Å
C7	H7	sing	1.09Å	1.11Å
O7	C8	sing	1.43Å	1.46Å
C8	O8	sing	1.43Å	1.47Å
C8	C9	sing	1.53Å	1.57Å
C8	H8	sing	1.09Å	1.11Å
C9	C10	sing	1.53Å	1.56Å
C9	H9	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.55Å
C10	H10	sing	1.09Å	1.11Å
C11	O9	sing	1.43Å	1.43Å
C11	H11	sing	1.09Å	1.11Å
O9	HO9	sing	0.97Å	0.96Å
C12	O10	sing	1.43Å	1.42Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.11Å
O10	HOA	sing	0.97Å	0.96Å
C13	O11	doub	1.21Å	1.23Å
C13	C14	sing	1.51Å	1.53Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.11Å
C14	H143	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N	C13	123.1°	120.0°
C9	N	HN	121.9°	119.9°
N	C9	C8	109.7°	109.5°
N	C9	C10	111.1°	109.6°
N	C9	H9	110.0°	109.5°
C13	N	HN	114.9°	120.0°
N	C13	O11	123.9°	120.0°
N	C13	C14	115.9°	120.0°
CA	N1	HN11	121.4°	106.7°
CA	N1	HN12	112.6°	106.7°
N1	CA	C	108.5°	109.5°
N1	CA	CB	111.6°	109.5°
N1	CA	HA	109.5°	109.5°
HN11	N1	HN12	60.8°	106.7°
C	CA	CB	110.9°	109.5°
C	CA	HA	108.2°	109.5°
CA	C	O	121.0°	120.0°
CA	C	OXT	118.0°	120.0°
CB	CA	HA	108.1°	109.4°
CA	CB	CG	114.1°	109.5°
CA	CB	O8	108.6°	109.5°
CA	CB	HB	106.6°	109.5°
O	C	OXT	121.0°	120.0°
C	OXT	HXT	118.0°	120.0°
CG	CB	O8	111.2°	109.5°
CG	CB	HB	107.2°	109.5°
CB	CG	HG1	112.0°	109.5°
CB	CG	HG2	113.5°	109.5°
CB	CG	HG3	112.4°	109.5°
O8	CB	HB	109.0°	109.4°
CB	O8	C8	121.9°	106.9°
HG1	CG	HG2	103.4°	109.4°
HG1	CG	HG3	107.3°	109.5°
HG2	CG	HG3	107.6°	109.5°
O1	C1	C5	109.2°	109.8°
O1	C1	C6	107.8°	109.4°
O1	C1	H1	108.4°	109.4°
C1	O1	C2	117.4°	107.6°
C5	C1	C6	115.5°	109.4°
C5	C1	H1	108.6°	109.4°
C1	C5	C4	109.8°	109.0°
C1	C5	O5	110.3°	109.6°
C1	C5	H5	109.4°	109.5°
C6	C1	H1	107.1°	109.4°
C1	C6	O6	110.9°	109.5°
C1	C6	H61	109.9°	109.4°
C1	C6	H62	111.3°	109.5°
O1	C2	O2	109.2°	109.4°
O1	C2	C3	110.3°	109.8°
O1	C2	H2	109.4°	109.4°
O2	C2	C3	110.0°	109.5°
O2	C2	H2	109.1°	109.4°
C2	O2	C10	120.0°	106.9°
C3	C2	H2	108.8°	109.3°
C2	C3	O3	109.7°	109.6°
C2	C3	C4	109.5°	109.0°
C2	C3	H3	109.2°	109.6°
O2	C10	C9	111.8°	109.8°
O2	C10	C11	107.6°	109.6°
O2	C10	H10	110.9°	109.6°
O3	C3	C4	110.2°	109.6°
O3	C3	H3	108.7°	109.5°
C3	O3	HO3	106.0°	106.8°
C4	C3	H3	109.6°	109.5°
C3	C4	O4	110.0°	109.7°
C3	C4	C5	112.5°	108.6°
C3	C4	H4	108.2°	109.6°
O4	C4	C5	110.0°	109.6°
O4	C4	H4	107.6°	109.6°
C4	O4	HO4	106.0°	106.8°
C5	C4	H4	108.3°	109.6°
C4	C5	O5	109.6°	109.7°
C4	C5	H5	109.3°	109.5°
O5	C5	H5	108.4°	109.5°
C5	O5	HO5	106.0°	106.8°
O6	C6	H61	108.8°	109.5°
O6	C6	H62	109.7°	109.5°
C6	O6	HO6	105.7°	106.8°
H61	C6	H62	106.1°	109.5°
O7	C7	C11	110.7°	109.8°
O7	C7	C12	106.8°	109.4°
O7	C7	H7	108.5°	109.4°
C7	O7	C8	122.0°	107.6°
C11	C7	C12	113.8°	109.4°
C11	C7	H7	108.8°	109.4°
C7	C11	C10	108.4°	109.0°
C7	C11	O9	111.2°	109.5°
C7	C11	H11	109.5°	109.5°
C12	C7	H7	108.1°	109.4°
C7	C12	O10	111.7°	109.5°
C7	C12	H121	110.1°	109.5°
C7	C12	H122	110.7°	109.4°
O7	C8	O8	107.8°	109.4°
O7	C8	C9	114.1°	109.7°
O7	C8	H8	106.2°	109.4°
O8	C8	C9	112.5°	109.5°
O8	C8	H8	107.2°	109.4°
C9	C8	H8	108.6°	109.4°
C8	C9	C10	110.6°	109.1°
C8	C9	H9	108.5°	109.6°
C10	C9	H9	106.8°	109.5°
C9	C10	C11	110.8°	108.7°
C9	C10	H10	107.9°	109.7°
C11	C10	H10	107.7°	109.6°
C10	C11	O9	110.3°	109.6°
C10	C11	H11	109.2°	109.6°
O9	C11	H11	108.2°	109.6°
C11	O9	HO9	106.2°	106.8°
O10	C12	H121	109.1°	109.5°
O10	C12	H122	109.3°	109.5°
C12	O10	HOA	105.8°	106.8°
H121	C12	H122	105.8°	109.5°
O11	C13	C14	120.2°	120.0°
C13	C14	H141	112.5°	109.5°
C13	C14	H142	110.8°	109.5°
C13	C14	H143	111.2°	109.5°
H141	C14	H142	107.8°	109.5°
H141	C14	H143	107.0°	109.4°
H142	C14	H143	107.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	N	C13	HN	177.0°	180.0°
N	C9	C10	O2	153.7°	66.5°
N	C9	C8	O7	141.3°	178.8°
N	C9	C8	O8	95.5°	58.7°
N	C9	C8	C10	122.9°	120.0°
N	C9	C8	H9	120.2°	120.1°
N	C9	C8	H8	23.1°	61.2°
N	C9	C10	H9	120.0°	120.2°
N	C9	C10	C11	86.3°	173.7°
N	C9	C10	H10	31.5°	54.0°
C9	N	C13	O11	1.7°	0.0°
C9	N	C13	C14	176.9°	180.0°
C13	N	C9	C8	136.4°	90.4°
C13	N	C9	C10	101.0°	150.0°
C13	N	C9	H9	17.1°	29.8°
N	C13	O11	C14	178.6°	179.9°
N	C13	C14	H141	113.6°	180.0°
N	C13	C14	H142	7.2°	60.0°
N	C13	C14	H143	126.3°	60.1°
HN	N	C9	C8	46.8°	89.6°
HN	N	C9	C10	75.8°	30.0°
HN	N	C9	H9	166.1°	150.2°
HN	N	C13	O11	178.7°	180.0°
HN	N	C13	C14	0.0°	0.1°
CA	N1	HN11	HN12	100.0°	113.8°
N1	CA	C	CB	122.9°	120.0°
N1	CA	C	HA	118.7°	120.0°
N1	CA	CB	HA	120.5°	120.0°
N1	CA	C	O	10.5°	30.0°
N1	CA	C	OXT	168.2°	150.0°
N1	CA	CB	CG	42.0°	60.0°
N1	CA	CB	O8	166.6°	60.1°
N1	CA	CB	HB	76.1°	180.0°
HN11	N1	CA	C	13.8°	60.0°
HN11	N1	CA	CB	136.3°	60.0°
HN11	N1	CA	HA	104.0°	180.0°
HN12	N1	CA	C	54.7°	173.8°
HN12	N1	CA	CB	67.7°	53.7°
HN12	N1	CA	HA	172.6°	66.2°
C	CA	CB	HA	118.4°	120.0°
CA	C	O	OXT	178.7°	180.0°
CA	C	OXT	HXT	180.0°	180.0°
C	CA	CB	CG	79.1°	180.0°
C	CA	CB	O8	45.5°	60.0°
C	CA	CB	HB	162.8°	59.9°
CB	CA	C	O	112.4°	90.0°
CB	CA	C	OXT	68.9°	90.0°
CA	CB	CG	O8	123.2°	120.0°
CA	CB	CG	HB	117.8°	120.1°
CA	CB	O8	HB	115.7°	120.0°
CA	CB	CG	HG1	138.6°	60.0°
CA	CB	CG	HG2	21.9°	180.0°
CA	CB	CG	HG3	100.5°	60.0°
CA	CB	O8	C8	81.6°	150.0°
HA	CA	C	O	129.2°	150.0°
HA	CA	C	OXT	49.5°	30.0°
HA	CA	CB	CG	162.5°	60.0°
HA	CA	CB	O8	72.9°	179.9°
HA	CA	CB	HB	44.3°	60.0°
O	C	OXT	HXT	1.3°	0.0°
CG	CB	O8	HB	117.9°	119.9°
CB	CG	HG1	HG2	122.6°	120.0°
CB	CG	HG1	HG3	123.8°	120.0°
CB	CG	HG2	HG3	125.1°	120.0°
CG	CB	O8	C8	152.0°	90.0°
O8	CB	CG	HG1	98.2°	60.1°
O8	CB	CG	HG2	145.2°	59.9°
O8	CB	CG	HG3	22.7°	180.0°
CB	O8	C8	O7	154.7°	59.9°
CB	O8	C8	C9	78.6°	179.9°
CB	O8	C8	H8	40.8°	60.0°
HB	CB	CG	HG1	20.8°	179.9°
HB	CB	CG	HG2	95.8°	59.9°
HB	CB	CG	HG3	141.7°	60.1°
HB	CB	O8	C8	34.1°	30.0°
HG1	CG	HG2	HG3	113.4°	120.0°
O1	C1	C5	C6	121.6°	120.0°
O1	C1	C5	H1	118.1°	120.1°
O1	C1	C6	H1	116.4°	119.9°
C1	O1	C2	O2	96.6°	172.2°
C1	O1	C2	C3	24.4°	67.6°
C1	O1	C2	H2	144.0°	52.4°
O1	C1	C5	C4	38.8°	61.3°
O1	C1	C5	O5	159.7°	58.7°
O1	C1	C5	H5	81.1°	178.9°
O1	C1	C6	O6	131.5°	60.0°
O1	C1	C6	H61	108.2°	180.0°
O1	C1	C6	H62	9.1°	60.0°
C5	C1	C6	H1	121.1°	119.9°
C5	C1	O1	C2	66.5°	67.6°
C1	C5	C4	C3	20.3°	53.8°
C1	C5	C4	O4	143.4°	173.7°
C1	C5	C4	O5	121.3°	119.9°
C1	C5	C4	H5	120.0°	119.8°
C1	C5	C4	H4	99.2°	66.0°
C1	C5	O5	H5	119.8°	120.2°
C1	C5	O5	HO5	165.3°	180.0°
C5	C1	C6	O6	106.1°	179.7°
C5	C1	C6	H61	14.2°	59.7°
C5	C1	C6	H62	131.5°	60.2°
C6	C1	O1	C2	59.7°	172.4°
C6	C1	C5	C4	82.8°	178.7°
C6	C1	C5	O5	38.1°	61.3°
C6	C1	C5	H5	157.3°	58.9°
C1	C6	O6	H61	121.0°	120.0°
C1	C6	O6	H62	123.4°	120.0°
C1	C6	H61	H62	120.4°	120.0°
C1	C6	O6	HO6	155.3°	179.9°
H1	C1	O1	C2	175.3°	52.5°
H1	C1	C5	C4	156.9°	58.8°
H1	C1	C5	O5	82.2°	178.8°
H1	C1	C5	H5	37.0°	61.0°
H1	C1	C6	O6	15.1°	59.9°
H1	C1	C6	H61	135.4°	60.2°
H1	C1	C6	H62	107.4°	179.9°
O1	C2	O2	C3	121.2°	120.4°
O1	C2	O2	H2	119.5°	119.9°
O1	C2	C3	H2	120.0°	120.1°
O1	C2	O2	C10	52.9°	59.8°
O1	C2	C3	O3	159.0°	178.8°
O1	C2	C3	C4	37.9°	61.3°
O1	C2	C3	H3	82.0°	58.6°
O2	C2	C3	H2	119.5°	119.8°
O2	C2	C3	O3	80.5°	58.6°
O2	C2	C3	C4	158.4°	178.6°
O2	C2	C3	H3	38.5°	61.5°
C2	O2	C10	C9	37.4°	150.8°
C2	O2	C10	C11	159.2°	89.9°
C2	O2	C10	H10	83.2°	30.3°
C3	C2	O2	C10	174.0°	179.8°
C2	C3	O3	C4	120.6°	119.6°
C2	C3	O3	H3	119.3°	120.2°
C2	C3	C4	H3	119.7°	119.9°
C2	C3	O3	HO3	153.9°	60.4°
C2	C3	C4	O4	176.1°	173.6°
C2	C3	C4	C5	60.8°	53.8°
C2	C3	C4	H4	58.7°	66.0°
H2	C2	O2	C10	66.7°	60.0°
H2	C2	C3	O3	39.0°	61.2°
H2	C2	C3	C4	82.1°	58.8°
H2	C2	C3	H3	157.9°	178.7°
O2	C10	C11	C7	54.3°	173.7°
O2	C10	C9	C8	84.2°	173.6°
O2	C10	C9	C11	120.0°	119.9°
O2	C10	C9	H10	122.3°	120.4°
O2	C10	C9	H9	33.8°	53.7°
O2	C10	C11	H10	119.7°	120.2°
O2	C10	C11	O9	67.6°	53.8°
O2	C10	C11	H11	173.5°	66.5°
O3	C3	C4	H3	119.6°	120.2°
O3	C3	C4	O4	55.3°	66.5°
O3	C3	C4	C5	178.4°	173.7°
O3	C3	C4	H4	62.0°	53.9°
C4	C3	O3	HO3	85.4°	180.0°
C3	C4	O4	C5	124.5°	119.2°
C3	C4	O4	H4	117.7°	120.4°
C3	C4	C5	H4	119.5°	119.8°
C3	C4	O4	HO4	27.0°	60.8°
C3	C4	C5	O5	101.0°	66.2°
C3	C4	C5	H5	140.3°	173.6°
H3	C3	O3	HO3	34.7°	59.8°
H3	C3	C4	O4	64.2°	53.7°
H3	C3	C4	C5	58.9°	66.1°
H3	C3	C4	H4	178.4°	174.1°
O4	C4	C5	H4	117.4°	120.3°
O4	C4	C5	O5	22.1°	53.7°
O4	C4	C5	H5	96.6°	66.5°
C5	C4	O4	HO4	97.5°	180.0°
C4	C5	O5	H5	119.2°	120.2°
C4	C5	O5	HO5	73.7°	60.4°
H4	C4	O4	HO4	144.7°	59.7°
H4	C4	C5	O5	139.5°	174.0°
H4	C4	C5	H5	20.8°	53.8°
H5	C5	O5	HO5	45.5°	59.8°
O6	C6	H61	H62	118.0°	120.0°
H61	C6	O6	HO6	34.3°	59.9°
H62	C6	O6	HO6	81.3°	60.1°
O7	C7	C11	C12	120.3°	120.1°
O7	C7	C11	H7	119.1°	120.1°
O7	C7	C12	H7	116.6°	119.8°
C7	O7	C8	O8	173.9°	172.3°
C7	O7	C8	C9	48.2°	67.5°
C7	O7	C8	H8	71.5°	52.4°
O7	C7	C11	C10	41.4°	61.2°
O7	C7	C11	O9	162.8°	58.7°
O7	C7	C11	H11	77.6°	178.9°
O7	C7	C12	O10	97.4°	59.9°
O7	C7	C12	H121	23.9°	179.9°
O7	C7	C12	H122	140.6°	60.0°
C11	C7	C12	H7	121.0°	119.8°
C11	C7	O7	C8	15.3°	67.5°
C7	C11	C10	C9	68.2°	53.7°
C7	C11	C10	O9	121.9°	119.9°
C7	C11	C10	H11	119.3°	119.8°
C7	C11	C10	H10	173.9°	66.1°
C7	C11	O9	H11	120.3°	120.1°
C7	C11	O9	HO9	96.9°	60.0°
C11	C7	C12	O10	140.2°	179.7°
C11	C7	C12	H121	98.5°	59.7°
C11	C7	C12	H122	18.1°	60.3°
C12	C7	O7	C8	139.7°	172.4°
C12	C7	C11	C10	78.9°	178.7°
C12	C7	C11	O9	42.5°	61.4°
C12	C7	C11	H11	162.0°	58.8°
C7	C12	O10	H121	121.9°	120.0°
C7	C12	O10	H122	122.8°	119.9°
C7	C12	H121	H122	119.6°	120.0°
C7	C12	O10	HOA	95.3°	180.0°
H7	C7	O7	C8	104.0°	52.5°
H7	C7	C11	C10	160.6°	58.9°
H7	C7	C11	O9	78.1°	178.8°
H7	C7	C11	H11	41.5°	61.0°
H7	C7	C12	O10	19.2°	59.9°
H7	C7	C12	H121	140.5°	60.1°
H7	C7	C12	H122	102.8°	179.9°
O7	C8	O8	C9	126.7°	120.3°
O7	C8	O8	H8	114.0°	119.9°
O7	C8	C9	H8	118.3°	120.0°
O7	C8	C9	C10	18.4°	61.3°
O7	C8	C9	H9	98.5°	58.6°
O8	C8	C9	H8	118.5°	119.9°
O8	C8	C9	C10	141.6°	178.6°
O8	C8	C9	H9	24.7°	61.5°
C8	C9	C10	H9	117.9°	120.0°
C8	C9	C10	C11	35.8°	53.8°
C8	C9	C10	H10	153.5°	65.9°
H8	C8	C9	C10	99.9°	58.7°
H8	C8	C9	H9	143.3°	178.6°
C9	C10	C11	H10	117.8°	119.8°
C9	C10	C11	O9	169.8°	66.1°
C9	C10	C11	H11	51.0°	173.6°
H9	C9	C10	C11	153.8°	66.2°
H9	C9	C10	H10	88.5°	174.1°
C10	C11	O9	H11	119.4°	120.3°
C10	C11	O9	HO9	23.4°	179.6°
H10	C10	C11	O9	52.0°	174.1°
H10	C10	C11	H11	66.8°	53.8°
H11	C11	O9	HO9	142.8°	60.1°
O10	C12	H121	H122	117.5°	120.0°
H121	C12	O10	HOA	142.7°	59.9°
H122	C12	O10	HOA	27.5°	60.1°
O11	C13	C14	H141	67.7°	0.1°
O11	C13	C14	H142	171.5°	119.9°
O11	C13	C14	H143	52.4°	120.0°
C13	C14	H141	H142	122.5°	120.0°
C13	C14	H141	H143	122.4°	119.9°
C13	C14	H142	H143	121.5°	120.0°
H141	C14	H142	H143	115.0°	120.0°

Definition date:	1999-07-08
Last modified:	2020-07-03
Release status:	OBS
Processing site:	RCSB