TPN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8'	C7'	sing	1.51Å	1.53Å
C8'	N1	sing	1.46Å	1.48Å
C8'	H8'1	sing	1.09Å	1.10Å
C8'	H8'2	sing	1.09Å	1.10Å
C7'	O7'	doub	1.21Å	1.24Å
C7'	N4'	sing	1.35Å	1.35Å
C5'	C	sing	1.51Å	1.52Å
C5'	N4'	sing	1.46Å	1.47Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.22Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å
N4'	C3'	sing	1.46Å	1.48Å
C3'	C2'	sing	1.53Å	1.53Å
C3'	H3'1	sing	1.09Å	1.10Å
C3'	H3'2	sing	1.09Å	1.10Å
C2'	N	sing	1.47Å	1.46Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
N	H3	sing	1.01Å	1.00Å
N1	C6	sing	1.37Å	1.38Å
N1	C2	sing	1.35Å	1.39Å
C6	C5	doub	1.35Å	1.36Å
C6	H6	sing	1.08Å	1.08Å
C2	O2	doub	1.22Å	1.22Å
C2	N3	sing	1.35Å	1.34Å
N3	C4	sing	1.35Å	1.35Å
N3	HN3	sing	0.97Å	1.00Å
C4	O4	doub	1.22Å	1.21Å
C4	C5	sing	1.42Å	1.45Å
C5	C5M	sing	1.51Å	1.52Å
C5M	HM51	sing	1.09Å	1.10Å
C5M	HM52	sing	1.09Å	1.10Å
C5M	HM53	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7'	C8'	N1	111.8°	109.5°
C7'	C8'	H8'1	108.7°	109.5°
C7'	C8'	H8'2	108.7°	109.5°
C8'	C7'	O7'	119.9°	120.0°
C8'	C7'	N4'	119.6°	120.0°
N1	C8'	H8'1	108.7°	109.5°
N1	C8'	H8'2	108.7°	109.5°
C8'	N1	C6	120.1°	119.7°
C8'	N1	C2	118.2°	119.7°
H8'1	C8'	H8'2	110.2°	109.4°
O7'	C7'	N4'	120.5°	120.0°
C7'	N4'	C5'	117.5°	120.0°
C7'	N4'	C3'	123.5°	120.0°
C	C5'	N4'	117.3°	109.5°
C	C5'	H5'1	107.0°	109.5°
C	C5'	H5'2	107.0°	109.5°
C5'	C	O	119.0°	120.0°
C5'	C	OXT	119.2°	120.0°
N4'	C5'	H5'1	107.0°	109.5°
N4'	C5'	H5'2	107.0°	109.5°
C5'	N4'	C3'	119.0°	120.0°
H5'1	C5'	H5'2	111.8°	109.5°
O	C	OXT	121.8°	120.0°
C	OXT	HXT	109.5°	117.0°
N4'	C3'	C2'	114.9°	109.4°
N4'	C3'	H3'1	107.7°	109.5°
N4'	C3'	H3'2	107.7°	109.5°
C2'	C3'	H3'1	107.7°	109.5°
C2'	C3'	H3'2	107.7°	109.5°
C3'	C2'	N	113.7°	109.4°
C3'	C2'	H2'1	108.1°	109.4°
C3'	C2'	H2'2	108.1°	109.5°
H3'1	C3'	H3'2	111.2°	109.5°
N	C2'	H2'1	108.1°	109.5°
N	C2'	H2'2	108.1°	109.5°
C2'	N	H	109.5°	109.5°
C2'	N	H2	109.5°	109.5°
C2'	N	H3	109.5°	109.5°
H2'1	C2'	H2'2	110.8°	109.5°
H	N	H2	109.4°	109.4°
H	N	H3	109.5°	109.5°
H2	N	H3	109.5°	109.5°
C6	N1	C2	121.7°	120.6°
N1	C6	C5	119.5°	119.7°
N1	C6	H6	120.3°	120.2°
N1	C2	O2	123.4°	119.5°
N1	C2	N3	117.4°	120.9°
C5	C6	H6	120.2°	120.2°
C6	C5	C4	119.4°	119.1°
C6	C5	C5M	118.7°	120.5°
O2	C2	N3	119.2°	119.5°
C2	N3	C4	124.8°	120.2°
C2	N3	HN3	117.6°	119.9°
C4	N3	HN3	117.6°	119.9°
N3	C4	O4	118.5°	120.3°
N3	C4	C5	117.2°	119.4°
O4	C4	C5	124.3°	120.3°
C4	C5	C5M	121.9°	120.4°
C5	C5M	HM51	109.5°	109.5°
C5	C5M	HM52	109.5°	109.5°
C5	C5M	HM53	109.5°	109.5°
HM51	C5M	HM52	109.5°	109.5°
HM51	C5M	HM53	109.4°	109.5°
HM52	C5M	HM53	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7'	C8'	N1	H8'1	120.0°	120.0°
C7'	C8'	N1	H8'2	120.0°	120.0°
C7'	C8'	H8'1	H8'2	119.0°	120.0°
C8'	C7'	O7'	N4'	179.9°	180.0°
C8'	C7'	N4'	C5'	179.7°	0.0°
C8'	C7'	N4'	C3'	0.6°	180.0°
C7'	C8'	N1	C6	82.3°	90.0°
C7'	C8'	N1	C2	96.9°	90.3°
N1	C8'	H8'1	H8'2	119.1°	120.0°
N1	C8'	C7'	O7'	3.5°	0.0°
N1	C8'	C7'	N4'	176.4°	180.0°
C8'	N1	C6	C2	179.2°	179.7°
C8'	N1	C6	C5	178.8°	180.0°
C8'	N1	C6	H6	1.2°	0.0°
C8'	N1	C2	O2	0.2°	0.0°
C8'	N1	C2	N3	179.5°	180.0°
H8'1	C8'	C7'	O7'	123.5°	120.0°
H8'1	C8'	C7'	N4'	56.4°	60.0°
H8'1	C8'	N1	C6	157.7°	30.0°
H8'1	C8'	N1	C2	23.1°	149.7°
H8'2	C8'	C7'	O7'	116.6°	120.0°
H8'2	C8'	C7'	N4'	63.6°	60.0°
H8'2	C8'	N1	C6	37.7°	150.0°
H8'2	C8'	N1	C2	143.1°	29.7°
O7'	C7'	N4'	C5'	0.4°	180.0°
O7'	C7'	N4'	C3'	179.3°	0.1°
C7'	N4'	C5'	C	91.5°	90.0°
C7'	N4'	C5'	C3'	179.7°	179.9°
C7'	N4'	C5'	H5'1	148.5°	30.0°
C7'	N4'	C5'	H5'2	28.5°	150.0°
C7'	N4'	C3'	C2'	112.2°	90.0°
C7'	N4'	C3'	H3'1	7.8°	150.0°
C7'	N4'	C3'	H3'2	127.8°	29.9°
C	C5'	N4'	H5'1	120.0°	120.0°
C	C5'	N4'	H5'2	120.0°	120.0°
C	C5'	H5'1	H5'2	116.8°	120.0°
C5'	C	O	OXT	179.7°	180.0°
C5'	C	OXT	HXT	179.7°	179.9°
C	C5'	N4'	C3'	88.2°	89.9°
N4'	C5'	H5'1	H5'2	116.8°	120.0°
N4'	C5'	C	O	179.8°	0.0°
N4'	C5'	C	OXT	0.1°	180.0°
C5'	N4'	C3'	C2'	68.1°	90.0°
C5'	N4'	C3'	H3'1	171.9°	30.0°
C5'	N4'	C3'	H3'2	51.9°	150.0°
H5'1	C5'	C	O	59.8°	120.0°
H5'1	C5'	C	OXT	119.9°	60.0°
H5'1	C5'	N4'	C3'	31.8°	150.1°
H5'2	C5'	C	O	60.1°	120.0°
H5'2	C5'	C	OXT	120.1°	60.0°
H5'2	C5'	N4'	C3'	151.8°	30.0°
O	C	OXT	HXT	0.0°	0.0°
N4'	C3'	C2'	H3'1	120.0°	120.0°
N4'	C3'	C2'	H3'2	120.0°	119.9°
N4'	C3'	H3'1	H3'2	117.8°	120.0°
N4'	C3'	C2'	N	74.4°	180.0°
N4'	C3'	C2'	H2'1	165.5°	60.0°
N4'	C3'	C2'	H2'2	45.6°	60.0°
C2'	C3'	H3'1	H3'2	117.8°	120.0°
C3'	C2'	N	H2'1	120.0°	119.9°
C3'	C2'	N	H2'2	120.0°	120.0°
C3'	C2'	H2'1	H2'2	118.2°	120.0°
C3'	C2'	N	H	180.0°	60.0°
C3'	C2'	N	H2	60.0°	60.0°
C3'	C2'	N	H3	60.0°	180.0°
H3'1	C3'	C2'	N	45.6°	60.0°
H3'1	C3'	C2'	H2'1	74.4°	180.0°
H3'1	C3'	C2'	H2'2	165.6°	60.0°
H3'2	C3'	C2'	N	165.6°	60.0°
H3'2	C3'	C2'	H2'1	45.6°	59.9°
H3'2	C3'	C2'	H2'2	74.4°	180.0°
N	C2'	H2'1	H2'2	118.3°	120.1°
C2'	N	H	H2	120.0°	120.0°
C2'	N	H	H3	120.0°	120.0°
C2'	N	H2	H3	120.0°	120.0°
H2'1	C2'	N	H	60.0°	179.9°
H2'1	C2'	N	H2	180.0°	60.0°
H2'1	C2'	N	H3	60.0°	60.1°
H2'2	C2'	N	H	60.0°	60.0°
H2'2	C2'	N	H2	60.0°	180.0°
H2'2	C2'	N	H3	180.0°	60.0°
H	N	H2	H3	120.0°	120.0°
N1	C6	C5	H6	180.0°	180.0°
C6	N1	C2	O2	179.0°	179.7°
C6	N1	C2	N3	1.3°	0.3°
N1	C6	C5	C4	1.2°	0.0°
N1	C6	C5	C5M	179.7°	180.0°
C2	N1	C6	C5	0.4°	0.3°
C2	N1	C6	H6	179.6°	179.7°
N1	C2	O2	N3	179.8°	179.9°
N1	C2	N3	C4	2.2°	0.1°
N1	C2	N3	HN3	177.8°	180.0°
C6	C5	C4	N3	0.4°	0.2°
C6	C5	C4	O4	179.4°	180.0°
C6	C5	C4	C5M	178.4°	180.0°
C6	C5	C5M	HM51	180.0°	90.0°
C6	C5	C5M	HM52	60.0°	150.0°
C6	C5	C5M	HM53	60.0°	30.1°
H6	C6	C5	C4	178.8°	180.0°
H6	C6	C5	C5M	0.3°	0.0°
O2	C2	N3	C4	178.0°	180.0°
O2	C2	N3	HN3	2.0°	0.0°
C2	N3	C4	HN3	180.0°	180.0°
C2	N3	C4	O4	178.9°	180.0°
C2	N3	C4	C5	1.4°	0.2°
N3	C4	O4	C5	179.7°	179.8°
N3	C4	C5	C5M	178.8°	179.8°
HN3	N3	C4	O4	1.2°	0.0°
HN3	N3	C4	C5	178.6°	179.8°
O4	C4	C5	C5M	0.9°	0.0°
C4	C5	C5M	HM51	1.6°	90.0°
C4	C5	C5M	HM52	118.4°	30.0°
C4	C5	C5M	HM53	121.6°	149.9°
C5	C5M	HM51	HM52	120.0°	120.1°
C5	C5M	HM51	HM53	120.0°	120.0°
C5	C5M	HM52	HM53	120.0°	119.9°
HM51	C5M	HM52	HM53	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	1PNN