40C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C5'	sing	1.51Å	1.50Å
C	O	doub	1.21Å	1.18Å
C	OXT	sing	1.34Å	1.43Å
N1	C8'	sing	1.46Å	1.50Å
C2	N1	sing	1.35Å	1.40Å
O2	C2	doub	1.22Å	1.22Å
N3	C2	sing	1.33Å	1.34Å
N3	C4	doub	1.33Å	1.30Å
C4	C5	sing	1.41Å	1.40Å
N4	C4	sing	1.38Å	1.28Å
C5	C6	doub	1.35Å	1.35Å
C6	N1	sing	1.36Å	1.36Å
C6	H6	sing	1.08Å	1.08Å
N	CA	sing	1.47Å	1.43Å
N	H2	sing	1.01Å	1.00Å
CA	C2M	sing	1.53Å	1.51Å
CA	HA	sing	1.09Å	1.10Å
C2M	H2MA	sing	1.09Å	1.10Å
C2M	H2M	sing	1.09Å	1.10Å
C3'	CA	sing	1.53Å	1.52Å
C3'	H23'	sing	1.09Å	1.10Å
N4'	C3'	sing	1.46Å	1.47Å
N4'	C5'	sing	1.47Å	1.47Å
C5'	H25'	sing	1.09Å	1.10Å
C7'	N4'	sing	1.35Å	1.35Å
O7'	C7'	doub	1.21Å	1.23Å
C8'	C7'	sing	1.51Å	1.51Å
C8'	H18'	sing	1.09Å	1.10Å
H5	C5	sing	1.08Å	1.08Å
H	N	sing	1.01Å	1.00Å
H13'	C3'	sing	1.09Å	1.10Å
HN4	N4	sing	0.97Å	1.00Å
HN4A	N4	sing	0.97Å	1.00Å
H15'	C5'	sing	1.09Å	1.10Å
H28'	C8'	sing	1.09Å	1.10Å
H2MB	C2M	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5'	C	O	120.0°	120.0°
C5'	C	OXT	120.0°	120.0°
C	C5'	N4'	115.3°	109.5°
C	C5'	H25'	107.6°	109.4°
C	C5'	H15'	107.6°	109.4°
O	C	OXT	120.0°	120.0°
C	OXT	HXT	109.5°	117.0°
C8'	N1	C2	121.2°	119.8°
C8'	N1	C6	119.6°	119.8°
N1	C8'	C7'	113.1°	109.5°
N1	C8'	H18'	108.3°	109.5°
N1	C8'	H28'	108.3°	109.5°
N1	C2	O2	121.4°	119.5°
N1	C2	N3	122.2°	121.1°
C2	N1	C6	119.1°	120.3°
O2	C2	N3	116.4°	119.5°
C2	N3	C4	116.4°	120.7°
N3	C4	C5	125.0°	119.6°
N3	C4	N4	115.2°	120.2°
C5	C4	N4	119.7°	120.2°
C4	C5	C6	117.8°	119.0°
C4	C5	H5	121.1°	120.5°
C4	N4	HN4	120.0°	120.0°
C4	N4	HN4A	120.0°	120.0°
C5	C6	N1	119.3°	119.3°
C5	C6	H6	120.3°	120.3°
C6	C5	H5	121.1°	120.5°
N1	C6	H6	120.4°	120.4°
CA	N	H2	109.5°	111.1°
N	CA	C2M	106.5°	109.4°
N	CA	HA	110.1°	109.4°
N	CA	C3'	111.7°	109.5°
CA	N	H	109.5°	111.0°
H2	N	H	109.5°	111.0°
C2M	CA	HA	112.1°	109.5°
CA	C2M	H2MA	109.5°	109.5°
CA	C2M	H2M	109.5°	109.5°
C2M	CA	C3'	109.7°	109.5°
CA	C2M	H2MB	109.5°	109.5°
HA	CA	C3'	106.9°	109.5°
H2MA	C2M	H2M	109.5°	109.5°
H2MA	C2M	H2MB	109.5°	109.4°
H2M	C2M	H2MB	109.5°	109.5°
CA	C3'	H23'	108.1°	109.5°
CA	C3'	N4'	113.6°	109.5°
CA	C3'	H13'	108.1°	109.5°
H23'	C3'	N4'	108.1°	109.4°
H23'	C3'	H13'	110.8°	109.4°
C3'	N4'	C5'	114.7°	120.0°
C3'	N4'	C7'	125.2°	120.0°
N4'	C3'	H13'	108.1°	109.5°
N4'	C5'	H25'	107.6°	109.5°
C5'	N4'	C7'	120.0°	119.9°
N4'	C5'	H15'	107.6°	109.4°
H25'	C5'	H15'	111.3°	109.5°
N4'	C7'	O7'	121.4°	120.0°
N4'	C7'	C8'	119.4°	120.0°
O7'	C7'	C8'	119.2°	120.0°
C7'	C8'	H18'	108.3°	109.4°
C7'	C8'	H28'	108.3°	109.4°
H18'	C8'	H28'	110.6°	109.5°
HN4	N4	HN4A	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5'	C	O	OXT	180.0°	179.8°
C	C5'	N4'	C3'	96.0°	90.0°
C	C5'	N4'	H25'	120.0°	120.0°
C	C5'	N4'	H15'	120.0°	119.9°
C	C5'	H25'	H15'	117.6°	119.9°
C	C5'	N4'	C7'	81.0°	90.0°
C5'	C	OXT	HXT	180.0°	180.0°
O	C	C5'	N4'	175.3°	0.1°
O	C	C5'	H25'	55.3°	120.0°
O	C	C5'	H15'	64.7°	120.0°
O	C	OXT	HXT	0.0°	0.2°
OXT	C	C5'	N4'	4.6°	179.7°
OXT	C	C5'	H25'	124.7°	60.2°
OXT	C	C5'	H15'	115.4°	59.8°
C8'	N1	C2	C6	177.8°	179.7°
C8'	N1	C2	O2	4.1°	0.0°
C8'	N1	C2	N3	176.2°	180.0°
C8'	N1	C6	C5	177.4°	179.8°
C8'	N1	C6	H6	2.6°	0.2°
N1	C8'	C7'	N4'	177.8°	177.7°
N1	C8'	C7'	O7'	1.3°	2.3°
N1	C8'	C7'	H18'	120.0°	120.0°
N1	C8'	C7'	H28'	120.0°	120.0°
N1	C8'	H18'	H28'	118.5°	120.1°
N1	C2	O2	N3	179.8°	180.0°
N1	C2	N3	C4	3.3°	0.0°
C2	N1	C6	C5	4.8°	0.5°
C2	N1	C6	H6	175.2°	179.9°
C2	N1	C8'	C7'	105.0°	90.0°
C2	N1	C8'	H18'	135.0°	150.0°
C2	N1	C8'	H28'	15.0°	30.0°
O2	C2	N3	C4	176.5°	180.0°
O2	C2	N1	C6	173.7°	179.8°
C2	N3	C4	C5	0.5°	0.0°
C2	N3	C4	N4	178.8°	180.0°
N3	C2	N1	C6	6.1°	0.3°
N3	C4	C5	N4	179.3°	180.0°
N3	C4	C5	C6	1.6°	0.3°
N3	C4	C5	H5	178.5°	180.0°
N3	C4	N4	HN4	0.0°	0.0°
N3	C4	N4	HN4A	180.0°	180.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	N1	1.2°	0.5°
C4	C5	C6	H6	178.8°	179.9°
C5	C4	N4	HN4	179.3°	180.0°
C5	C4	N4	HN4A	0.7°	0.1°
N4	C4	C5	C6	177.7°	179.7°
N4	C4	C5	H5	2.3°	0.0°
C4	N4	HN4	HN4A	180.0°	179.9°
C5	C6	N1	H6	180.0°	179.6°
C6	N1	C8'	C7'	72.8°	90.3°
C6	N1	C8'	H18'	47.2°	29.7°
N1	C6	C5	H5	178.7°	179.7°
C6	N1	C8'	H28'	167.2°	149.7°
H6	C6	C5	H5	1.3°	0.2°
CA	N	H2	H	120.0°	124.0°
N	CA	C2M	HA	120.4°	119.9°
N	CA	C2M	C3'	121.1°	120.1°
N	CA	HA	C3'	121.5°	120.0°
N	CA	C2M	H2MA	180.0°	60.1°
N	CA	C2M	H2M	60.0°	60.0°
N	CA	C3'	H23'	179.2°	64.6°
N	CA	C3'	N4'	59.2°	55.4°
N	CA	C3'	H13'	60.8°	175.4°
N	CA	C2M	H2MB	60.0°	180.0°
H2	N	CA	C2M	180.0°	67.5°
H2	N	CA	HA	58.3°	52.4°
H2	N	CA	C3'	60.3°	172.5°
C2M	CA	HA	C3'	120.2°	120.1°
CA	C2M	H2MA	H2M	120.0°	120.0°
CA	C2M	H2MA	H2MB	120.0°	120.0°
CA	C2M	H2M	H2MB	120.0°	120.0°
C2M	CA	C3'	H23'	62.9°	55.4°
C2M	CA	C3'	N4'	177.1°	175.4°
C2M	CA	N	H	60.0°	56.6°
C2M	CA	C3'	H13'	57.1°	64.5°
HA	CA	C2M	H2MA	59.6°	180.0°
HA	CA	C2M	H2M	60.4°	59.9°
HA	CA	C3'	H23'	58.7°	175.5°
HA	CA	C3'	N4'	61.2°	64.5°
HA	CA	N	H	178.3°	176.5°
HA	CA	C3'	H13'	178.8°	55.5°
HA	CA	C2M	H2MB	179.6°	60.1°
H2MA	C2M	H2M	H2MB	120.0°	120.0°
H2MA	C2M	CA	C3'	58.9°	60.0°
H2M	C2M	CA	C3'	178.9°	180.0°
CA	C3'	H23'	N4'	123.4°	120.0°
CA	C3'	H23'	H13'	118.3°	120.0°
CA	C3'	N4'	H13'	120.0°	120.0°
CA	C3'	N4'	C5'	67.6°	84.2°
CA	C3'	N4'	C7'	115.6°	95.8°
C3'	CA	N	H	59.8°	63.5°
C3'	CA	C2M	H2MB	61.1°	60.0°
H23'	C3'	N4'	H13'	120.0°	119.9°
H23'	C3'	N4'	C5'	52.4°	155.8°
H23'	C3'	N4'	C7'	124.5°	24.2°
C3'	N4'	C5'	C7'	177.0°	180.0°
C3'	N4'	C5'	H25'	24.0°	150.0°
C3'	N4'	C7'	O7'	170.7°	175.1°
C3'	N4'	C7'	C8'	8.4°	4.9°
C3'	N4'	C5'	H15'	144.0°	30.0°
N4'	C5'	H25'	H15'	117.6°	120.0°
C5'	N4'	C7'	O7'	6.0°	4.9°
C5'	N4'	C7'	C8'	174.9°	175.1°
C5'	N4'	C3'	H13'	172.4°	35.9°
H25'	C5'	N4'	C7'	159.0°	30.0°
N4'	C7'	O7'	C8'	179.1°	180.0°
N4'	C7'	C8'	H18'	62.2°	62.2°
C7'	N4'	C3'	H13'	4.5°	144.2°
C7'	N4'	C5'	H15'	39.0°	150.0°
N4'	C7'	C8'	H28'	57.8°	57.7°
O7'	C7'	C8'	H18'	118.7°	117.7°
O7'	C7'	C8'	H28'	121.3°	122.3°
C7'	C8'	H18'	H28'	118.5°	119.9°

Definition date:	2010-04-26
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	2KVJ