Obsolete: TNR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	sing	1.34Å	1.23Å
OXT	HB	sing	0.97Å	0.95Å
C	O	doub	1.21Å	1.23Å
C	CA	sing	1.51Å	1.54Å
CA	N	sing	1.47Å	1.46Å
CA	CB	sing	1.53Å	1.53Å
CA	HCA	sing	1.09Å	1.11Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CB	O1	sing	1.43Å	1.42Å
CB	HB2	sing	1.09Å	1.11Å
CB	HB3	sing	1.09Å	1.11Å
O1	C1	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.52Å
C1	O5	sing	1.43Å	1.42Å
C1	HC1	sing	1.09Å	1.11Å
C2	N2	sing	1.46Å	1.44Å
C2	C3	sing	1.53Å	1.51Å
C2	HC2	sing	1.09Å	1.12Å
N2	C7	sing	1.35Å	1.32Å
N2	HN2	sing	0.97Å	1.02Å
C7	C8	sing	1.51Å	1.50Å
C7	O7	doub	1.21Å	1.21Å
C8	HC81	sing	1.09Å	1.12Å
C8	HC82	sing	1.09Å	1.11Å
C8	HC83	sing	1.09Å	1.11Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.51Å
C3	HC3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.52Å
C4	HC4	sing	1.09Å	1.12Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.52Å
C5	HC5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.43Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.12Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	OXT	HB	119.2°	120.0°
OXT	C	O	119.2°	120.0°
OXT	C	CA	120.4°	120.0°
O	C	CA	120.4°	120.0°
C	CA	N	111.7°	109.4°
C	CA	CB	111.5°	109.5°
C	CA	HCA	106.7°	109.5°
N	CA	CB	109.9°	109.5°
N	CA	HCA	108.4°	109.5°
CA	N	H	111.7°	106.8°
CA	N	H2	111.4°	106.7°
CB	CA	HCA	108.5°	109.5°
CA	CB	O1	111.5°	109.5°
CA	CB	HB2	111.5°	109.5°
CA	CB	HB3	111.5°	109.5°
H	N	H2	111.3°	106.6°
O1	CB	HB2	111.4°	109.5°
O1	CB	HB3	111.4°	109.4°
CB	O1	C1	118.9°	106.8°
HB2	CB	HB3	98.9°	109.5°
O1	C1	C2	108.5°	109.2°
O1	C1	O5	109.9°	109.4°
O1	C1	HC1	110.4°	109.4°
C2	C1	O5	111.0°	109.8°
C2	C1	HC1	109.2°	109.5°
C1	C2	N2	106.4°	109.6°
C1	C2	C3	109.5°	109.1°
C1	C2	HC2	112.2°	109.5°
O5	C1	HC1	107.9°	109.4°
C1	O5	C5	114.0°	107.8°
N2	C2	C3	111.5°	109.6°
N2	C2	HC2	110.2°	109.4°
C2	N2	C7	119.9°	120.1°
C2	N2	HN2	124.2°	119.9°
C3	C2	HC2	107.1°	109.6°
C2	C3	O3	108.2°	109.6°
C2	C3	C4	107.5°	108.7°
C2	C3	HC3	111.3°	109.6°
C7	N2	HN2	115.9°	120.0°
N2	C7	C8	116.6°	120.0°
N2	C7	O7	120.4°	120.0°
C8	C7	O7	123.1°	120.0°
C7	C8	HC81	116.6°	109.5°
C7	C8	HC82	109.6°	109.4°
C7	C8	HC83	109.6°	109.5°
HC81	C8	HC82	109.6°	109.4°
HC81	C8	HC83	109.7°	109.5°
HC82	C8	HC83	100.6°	109.6°
O3	C3	C4	108.4°	109.8°
O3	C3	HC3	110.4°	109.6°
C3	O3	HO3	108.2°	106.8°
C4	C3	HC3	111.0°	109.6°
C3	C4	O4	107.1°	109.5°
C3	C4	C5	110.9°	109.0°
C3	C4	HC4	109.9°	109.5°
O4	C4	C5	108.6°	109.7°
O4	C4	HC4	112.1°	109.5°
C4	O4	HO4	107.1°	106.8°
C5	C4	HC4	108.3°	109.5°
C4	C5	O5	113.2°	109.8°
C4	C5	C6	108.7°	109.4°
C4	C5	HC5	107.0°	109.4°
O5	C5	C6	107.7°	109.4°
O5	C5	HC5	107.9°	109.4°
C6	C5	HC5	112.5°	109.5°
C5	C6	O6	108.3°	109.4°
C5	C6	HC61	112.6°	109.5°
C5	C6	HC62	112.7°	109.5°
O6	C6	HC61	112.6°	109.4°
O6	C6	HC62	112.6°	109.5°
C6	O6	HO6	108.3°	106.8°
HC61	C6	HC62	97.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	O	CA	178.9°	179.9°
OXT	C	CA	N	20.8°	150.0°
OXT	C	CA	CB	102.6°	90.0°
OXT	C	CA	HCA	139.1°	30.0°
HB	OXT	C	O	180.0°	0.0°
HB	OXT	C	CA	1.1°	179.9°
O	C	CA	N	158.1°	29.9°
O	C	CA	CB	78.5°	90.1°
O	C	CA	HCA	39.9°	149.9°
C	CA	N	CB	124.3°	120.0°
C	CA	N	HCA	117.2°	120.0°
C	CA	CB	HCA	117.2°	120.0°
C	CA	N	H	180.0°	60.0°
C	CA	N	H2	54.8°	173.8°
C	CA	CB	O1	40.9°	180.0°
C	CA	CB	HB2	84.3°	60.0°
C	CA	CB	HB3	166.1°	60.0°
N	CA	CB	HCA	118.4°	120.0°
CA	N	H	H2	125.2°	113.8°
N	CA	CB	O1	83.5°	60.0°
N	CA	CB	HB2	151.3°	180.0°
N	CA	CB	HB3	41.8°	60.0°
CB	CA	N	H	55.7°	60.0°
CB	CA	N	H2	69.5°	53.8°
CA	CB	O1	HB2	125.3°	120.1°
CA	CB	O1	HB3	125.3°	120.0°
CA	CB	HB2	HB3	117.4°	120.0°
CA	CB	O1	C1	146.7°	180.0°
HCA	CA	N	H	62.8°	180.0°
HCA	CA	N	H2	172.0°	66.3°
HCA	CA	CB	O1	158.2°	60.0°
HCA	CA	CB	HB2	32.9°	60.0°
HCA	CA	CB	HB3	76.6°	180.0°
O1	CB	HB2	HB3	117.3°	119.9°
CB	O1	C1	C2	151.1°	179.8°
CB	O1	C1	O5	87.4°	60.0°
CB	O1	C1	HC1	31.5°	59.9°
HB2	CB	O1	C1	21.4°	60.0°
HB3	CB	O1	C1	88.0°	60.0°
O1	C1	C2	O5	120.8°	120.0°
O1	C1	C2	HC1	120.4°	119.8°
O1	C1	O5	HC1	120.4°	119.9°
O1	C1	C2	N2	60.1°	61.1°
O1	C1	C2	C3	60.5°	58.9°
O1	C1	C2	HC2	179.3°	178.9°
O1	C1	O5	C5	65.2°	52.4°
C2	C1	O5	HC1	119.6°	120.3°
C1	C2	N2	C3	119.3°	119.7°
C1	C2	N2	HC2	121.9°	120.1°
C1	C2	C3	HC2	121.9°	119.9°
C1	C2	N2	C7	131.4°	90.2°
C1	C2	N2	HN2	48.7°	89.9°
C1	C2	C3	O3	177.4°	173.6°
C1	C2	C3	C4	60.6°	53.6°
C1	C2	C3	HC3	61.2°	66.1°
C2	C1	O5	C5	54.8°	67.4°
O5	C1	C2	N2	179.1°	178.9°
O5	C1	C2	C3	60.3°	61.1°
O5	C1	C2	HC2	58.5°	58.9°
C1	O5	C5	C4	50.9°	67.5°
C1	O5	C5	C6	171.1°	172.4°
C1	O5	C5	HC5	67.3°	52.5°
HC1	C1	C2	N2	60.3°	58.7°
HC1	C1	C2	C3	179.1°	178.7°
HC1	C1	C2	HC2	60.3°	61.3°
HC1	C1	O5	C5	174.4°	172.3°
N2	C2	C3	HC2	120.6°	120.1°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	C8	178.2°	180.0°
C2	N2	C7	O7	1.9°	0.0°
N2	C2	C3	O3	65.1°	66.5°
N2	C2	C3	C4	178.1°	173.6°
N2	C2	C3	HC3	56.3°	53.9°
C3	C2	N2	C7	109.3°	150.1°
C3	C2	N2	HN2	70.6°	29.9°
C2	C3	O3	C4	116.2°	119.3°
C2	C3	O3	HC3	122.0°	120.3°
C2	C3	C4	HC3	121.9°	119.7°
C2	C3	O3	HO3	179.9°	180.0°
C2	C3	C4	O4	62.0°	66.3°
C2	C3	C4	C5	56.3°	53.7°
C2	C3	C4	HC4	176.0°	173.5°
HC2	C2	N2	C7	9.5°	30.0°
HC2	C2	N2	HN2	170.6°	150.0°
HC2	C2	C3	O3	55.5°	53.6°
HC2	C2	C3	C4	61.3°	66.3°
HC2	C2	C3	HC3	176.9°	174.0°
N2	C7	C8	O7	179.9°	179.9°
N2	C7	C8	HC81	180.0°	180.0°
N2	C7	C8	HC82	54.8°	60.1°
N2	C7	C8	HC83	54.7°	60.0°
HN2	N2	C7	C8	1.9°	0.0°
HN2	N2	C7	O7	178.1°	180.0°
C7	C8	HC81	HC82	125.2°	119.9°
C7	C8	HC81	HC83	125.3°	120.0°
C7	C8	HC82	HC83	115.4°	120.1°
O7	C7	C8	HC81	0.0°	0.0°
O7	C7	C8	HC82	125.2°	119.9°
O7	C7	C8	HC83	125.3°	119.9°
HC81	C8	HC82	HC83	115.5°	120.0°
O3	C3	C4	HC3	121.4°	120.5°
O3	C3	C4	O4	54.6°	53.6°
O3	C3	C4	C5	173.0°	173.6°
O3	C3	C4	HC4	67.3°	66.6°
C4	C3	O3	HO3	63.7°	60.7°
C3	C4	O4	C5	119.8°	119.6°
C3	C4	O4	HC4	120.6°	120.2°
C3	C4	C5	HC4	120.7°	119.9°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	O5	51.7°	61.2°
C3	C4	C5	C6	171.3°	178.7°
C3	C4	C5	HC5	67.1°	58.8°
HC3	C3	O3	HO3	58.1°	59.7°
HC3	C3	C4	O4	176.0°	174.0°
HC3	C3	C4	C5	65.6°	66.0°
HC3	C3	C4	HC4	54.1°	53.9°
O4	C4	C5	HC4	122.0°	120.2°
O4	C4	C5	O5	65.7°	58.7°
O4	C4	C5	C6	53.9°	61.4°
O4	C4	C5	HC5	175.6°	178.7°
C5	C4	O4	HO4	60.3°	60.4°
C4	C5	O5	C6	120.2°	120.0°
C4	C5	O5	HC5	118.2°	120.0°
C4	C5	C6	HC5	118.2°	119.8°
C4	C5	C6	O6	156.3°	180.0°
C4	C5	C6	HC61	31.1°	60.1°
C4	C5	C6	HC62	78.4°	60.0°
HC4	C4	O4	HO4	59.4°	59.8°
HC4	C4	C5	O5	172.3°	178.9°
HC4	C4	C5	C6	68.0°	58.9°
HC4	C4	C5	HC5	53.6°	61.0°
O5	C5	C6	HC5	118.8°	119.9°
O5	C5	C6	O6	80.7°	59.7°
O5	C5	C6	HC61	154.0°	179.7°
O5	C5	C6	HC62	44.6°	60.3°
C5	C6	O6	HC61	125.3°	120.0°
C5	C6	O6	HC62	125.3°	120.1°
C5	C6	HC61	HC62	118.6°	120.1°
C5	C6	O6	HO6	180.0°	180.0°
HC5	C5	C6	O6	38.1°	60.2°
HC5	C5	C6	HC61	87.1°	59.7°
HC5	C5	C6	HC62	163.4°	179.8°
O6	C6	HC61	HC62	118.5°	119.9°
HC61	C6	O6	HO6	54.7°	60.0°
HC62	C6	O6	HO6	54.7°	60.0°

Definition date:	2002-11-15
Last modified:	2020-07-03
Release status:	OBS
Processing site:	EBI
Derived from:	1N47