58I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.50Å
C3	C4	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.53Å
C4	N2	sing	1.47Å	1.49Å
C1	C2	sing	1.53Å	1.52Å
N2	HN21	sing	1.01Å	1.00Å
N2	HN22	sing	1.01Å	1.00Å
N2	H3	sing	1.01Å	1.00Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C1	HN11	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
N1	H2	sing	1.01Å	1.00Å
N1	HN12	sing	1.01Å	1.00Å
N1	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	110.5°	109.4°
N1	C1	HN11	109.2°	109.5°
N1	C1	H1	109.2°	109.5°
C1	N1	H2	109.5°	109.4°
C1	N1	HN12	109.5°	109.5°
C1	N1	H14	109.4°	109.5°
C4	C3	C2	111.5°	109.5°
C3	C4	N2	111.4°	109.4°
C3	C4	H41	109.0°	109.4°
C3	C4	H42	109.0°	109.5°
C4	C3	H31	109.0°	109.5°
C4	C3	H32	109.0°	109.5°
C3	C2	C1	111.2°	109.5°
C2	C3	H31	108.9°	109.5°
C2	C3	H32	109.0°	109.5°
C3	C2	H21	109.0°	109.5°
C3	C2	H22	109.0°	109.5°
C4	N2	HN21	109.5°	109.4°
C4	N2	HN22	109.5°	109.5°
C4	N2	H3	109.5°	109.5°
N2	C4	H41	109.0°	109.5°
N2	C4	H42	109.0°	109.5°
C1	C2	H21	109.0°	109.5°
C1	C2	H22	109.0°	109.5°
C2	C1	HN11	109.2°	109.4°
C2	C1	H1	109.2°	109.5°
HN21	N2	HN22	109.5°	109.5°
HN21	N2	H3	109.5°	109.4°
HN22	N2	H3	109.5°	109.5°
H41	C4	H42	109.4°	109.5°
H31	C3	H32	109.5°	109.4°
H21	C2	H22	109.5°	109.4°
HN11	C1	H1	109.4°	109.5°
H2	N1	HN12	109.5°	109.4°
H2	N1	H14	109.5°	109.5°
HN12	N1	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	C3	72.5°	180.0°
N1	C1	C2	HN11	120.2°	119.9°
N1	C1	C2	H1	120.2°	120.0°
N1	C1	C2	H21	167.2°	60.0°
N1	C1	C2	H22	47.7°	59.9°
N1	C1	HN11	H1	119.5°	120.1°
C1	N1	H2	HN12	120.0°	119.9°
C1	N1	H2	H14	120.0°	120.0°
C1	N1	HN12	H14	119.9°	120.1°
C4	C3	C2	H31	120.3°	120.0°
C4	C3	C2	H32	120.3°	120.1°
C3	C4	N2	H41	120.3°	119.9°
C3	C4	N2	H42	120.3°	120.0°
C4	C3	C2	C1	172.9°	180.0°
C3	C4	N2	HN21	180.0°	180.0°
C3	C4	N2	HN22	60.0°	60.0°
C3	C4	N2	H3	60.0°	60.1°
C3	C4	H41	H42	119.1°	120.0°
C4	C3	H31	H32	119.1°	120.0°
C4	C3	C2	H21	66.8°	60.0°
C4	C3	C2	H22	52.7°	59.9°
C2	C3	C4	N2	71.0°	180.0°
C3	C2	C1	H21	120.2°	120.0°
C3	C2	C1	H22	120.3°	120.1°
C2	C3	C4	H41	168.7°	60.1°
C2	C3	C4	H42	49.3°	60.0°
C2	C3	H31	H32	119.1°	120.0°
C3	C2	H21	H22	119.2°	120.0°
C3	C2	C1	HN11	167.3°	60.1°
C3	C2	C1	H1	47.6°	60.0°
C4	N2	HN21	HN22	120.0°	120.0°
C4	N2	HN21	H3	120.0°	119.9°
C4	N2	HN22	H3	120.0°	120.0°
N2	C4	H41	H42	119.1°	120.1°
N2	C4	C3	H31	168.7°	60.0°
N2	C4	C3	H32	49.3°	59.9°
C1	C2	C3	H31	52.7°	60.0°
C1	C2	C3	H32	66.7°	59.9°
C1	C2	H21	H22	119.2°	120.0°
C2	C1	HN11	H1	119.5°	120.0°
C2	C1	N1	H2	180.0°	180.0°
C2	C1	N1	HN12	60.0°	60.1°
C2	C1	N1	H14	60.0°	60.0°
HN21	N2	HN22	H3	120.0°	120.0°
HN21	N2	C4	H41	59.7°	60.1°
HN21	N2	C4	H42	59.7°	60.0°
HN22	N2	C4	H41	179.7°	59.9°
HN22	N2	C4	H42	60.3°	180.0°
H3	N2	C4	H41	60.3°	180.0°
H3	N2	C4	H42	179.7°	59.9°
H41	C4	C3	H31	48.4°	180.0°
H41	C4	C3	H32	71.0°	60.0°
H42	C4	C3	H31	71.0°	60.0°
H42	C4	C3	H32	169.6°	180.0°
H31	C3	C2	H21	172.9°	180.0°
H31	C3	C2	H22	67.6°	60.0°
H32	C3	C2	H21	53.5°	60.0°
H32	C3	C2	H22	173.0°	180.0°
H21	C2	C1	HN11	47.1°	180.0°
H21	C2	C1	H1	72.6°	60.0°
H22	C2	C1	HN11	72.4°	60.0°
H22	C2	C1	H1	167.9°	180.0°
HN11	C1	N1	H2	59.8°	60.1°
HN11	C1	N1	HN12	60.2°	180.0°
HN11	C1	N1	H14	179.8°	59.9°
H1	C1	N1	H2	59.8°	60.0°
H1	C1	N1	HN12	179.9°	59.9°
H1	C1	N1	H14	60.2°	180.0°
H2	N1	HN12	H14	120.0°	120.0°

Release date:	2021-08-11
Definition date:	2021-07-08
Last modified:	2021-08-06
Release status:	REL
Processing site:	PDBE
Derived from:	7ATG