KGE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	doub	1.30Å	1.32Å
C5	C6	sing	1.50Å	1.51Å
C4	C3	sing	1.50Å	1.49Å
O2	C6	sing	1.43Å	1.43Å
C6	C2	sing	1.53Å	1.55Å
C3	N1	sing	1.47Å	1.47Å
C2	N1	sing	1.47Å	1.47Å
C2	C1	sing	1.53Å	1.52Å
O1	C1	sing	1.43Å	1.44Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
N1	H5	sing	1.01Å	1.00Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.08Å	1.08Å
C5	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.09Å	1.10Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C6	122.8°	122.9°
C5	C4	C3	123.3°	123.2°
C5	C4	H9	118.4°	118.4°
C4	C5	H10	118.6°	118.5°
C5	C6	O2	112.0°	109.5°
C5	C6	C2	109.9°	109.7°
C6	C5	H10	118.6°	118.6°
C5	C6	H11	107.9°	109.4°
C4	C3	N1	112.2°	110.3°
C4	C3	H7	108.8°	109.3°
C4	C3	H8	108.8°	109.3°
C3	C4	H9	118.3°	118.4°
O2	C6	C2	110.7°	109.5°
O2	C6	H11	108.8°	109.4°
C6	O2	H12	109.5°	114.0°
C6	C2	N1	109.3°	108.5°
C6	C2	C1	113.2°	109.7°
C6	C2	H4	107.1°	109.8°
C2	C6	H11	107.4°	109.4°
C3	N1	C2	112.6°	110.2°
C3	N1	H5	108.7°	111.0°
N1	C3	H7	108.8°	109.3°
N1	C3	H8	108.8°	109.4°
N1	C2	C1	111.9°	109.6°
N1	C2	H4	107.9°	109.6°
C2	N1	H5	108.7°	111.0°
C2	C1	O1	112.6°	109.5°
C2	C1	H2	108.7°	109.5°
C2	C1	H3	108.7°	109.5°
C1	C2	H4	107.3°	109.6°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	108.6°	109.5°
O1	C1	H3	108.7°	109.4°
H2	C1	H3	109.5°	109.5°
H7	C3	H8	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C6	H10	180.0°	180.0°
C5	C4	C3	H9	180.0°	179.9°
C4	C5	C6	O2	140.0°	136.6°
C4	C5	C6	C2	16.6°	16.5°
C5	C4	C3	N1	9.7°	17.1°
C5	C4	C3	H7	110.7°	137.3°
C5	C4	C3	H8	130.1°	103.1°
C4	C5	C6	H11	100.2°	103.6°
C6	C5	C4	C3	3.1°	0.4°
C5	C6	O2	C2	123.0°	120.3°
C5	C6	O2	H11	119.2°	119.9°
C5	C6	C2	H11	117.1°	120.1°
C5	C6	C2	N1	48.3°	48.9°
C5	C6	C2	C1	173.7°	168.7°
C5	C6	C2	H4	68.3°	70.8°
C6	C5	C4	H9	176.9°	179.7°
C5	C6	O2	H12	180.0°	60.0°
C4	C3	N1	H7	120.4°	120.2°
C4	C3	N1	H8	120.4°	120.2°
C4	C3	N1	C2	43.7°	51.0°
C4	C3	N1	H5	164.2°	174.4°
C4	C3	H7	H8	118.8°	119.5°
C3	C4	C5	H10	176.9°	179.5°
O2	C6	C2	H11	118.7°	119.8°
O2	C6	C2	N1	172.5°	169.0°
O2	C6	C2	C1	62.1°	71.2°
O2	C6	C2	H4	55.9°	49.3°
O2	C6	C5	H10	40.0°	43.4°
C6	C2	N1	C3	64.2°	68.8°
C6	C2	N1	C1	126.1°	119.8°
C6	C2	N1	H4	116.1°	119.9°
C6	C2	C1	H4	117.9°	120.6°
C6	C2	C1	O1	37.1°	176.0°
C6	C2	C1	H2	83.3°	56.0°
C6	C2	C1	H3	157.6°	64.0°
C6	C2	N1	H5	175.3°	167.8°
C2	C6	C5	H10	163.4°	163.5°
C2	C6	O2	H12	57.0°	179.7°
C3	N1	C2	H5	120.5°	123.4°
C3	N1	C2	C1	169.7°	171.5°
C3	N1	C2	H4	51.9°	51.1°
N1	C3	H7	H8	118.8°	119.7°
N1	C3	C4	H9	170.3°	163.0°
N1	C2	C1	H4	118.2°	120.3°
N1	C2	C1	O1	86.9°	64.9°
N1	C2	C1	H2	152.7°	175.0°
N1	C2	C1	H3	33.6°	55.0°
C2	N1	C3	H7	76.7°	171.1°
C2	N1	C3	H8	164.1°	69.2°
N1	C2	C6	H11	68.8°	71.1°
C2	C1	O1	H2	120.5°	120.0°
C2	C1	O1	H3	120.5°	120.0°
C2	C1	O1	H1	180.0°	180.0°
C2	C1	H2	H3	118.6°	120.0°
C1	C2	N1	H5	49.2°	48.1°
C1	C2	C6	H11	56.6°	48.6°
O1	C1	H2	H3	118.6°	119.9°
O1	C1	C2	H4	155.0°	55.4°
H1	O1	C1	H2	59.5°	60.0°
H1	O1	C1	H3	59.6°	60.0°
H2	C1	C2	H4	34.5°	64.6°
H3	C1	C2	H4	84.6°	175.3°
H4	C2	N1	H5	68.6°	72.3°
H4	C2	C6	H11	174.6°	169.1°
H5	N1	C3	H7	43.8°	65.4°
H5	N1	C3	H8	75.4°	54.2°
H7	C3	C4	H9	69.3°	42.8°
H8	C3	C4	H9	49.9°	76.8°
H9	C4	C5	H10	3.1°	0.3°
H10	C5	C6	H11	79.8°	76.5°
H11	C6	O2	H12	60.8°	59.9°

Release date:	2020-07-08
Definition date:	2019-05-21
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBE
Derived from:	6RRY