KGB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.52Å
O2	C3	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.53Å
C2	N1	sing	1.47Å	1.49Å
C7	N1	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.53Å
N1	C6	sing	1.47Å	1.46Å
O3	C4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.50Å
C5	O4	sing	1.43Å	1.43Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O2	H6	sing	0.97Å	0.95Å
C4	H7	sing	1.09Å	1.10Å
C8	C7	sing	1.53Å	51.96Å
O5	C8	sing	1.43Å	0.00Å
C9	O5	sing	1.43Å	0.00Å
C10	C11	sing	1.38Å	0.00Å	Aromatic
C11	C12	doub	1.38Å	0.00Å	Aromatic
C12	C13	sing	1.38Å	0.00Å	Aromatic
C13	C14	doub	1.38Å	0.00Å	Aromatic
C14	C15	sing	1.38Å	0.00Å	Aromatic
C15	C10	doub	1.38Å	0.00Å	Aromatic
C9	C10	sing	1.51Å	0.00Å
C1	H3	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
C5	H9	sing	1.09Å	1.10Å
O4	H10	sing	0.97Å	0.95Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	0.00Å
C8	H16	sing	1.09Å	0.00Å
C9	H17	sing	1.09Å	0.00Å
C9	H18	sing	1.09Å	0.00Å
C11	H19	sing	1.08Å	0.00Å
C12	H20	sing	1.08Å	0.00Å
C13	H21	sing	1.08Å	0.00Å
C14	H22	sing	1.08Å	0.00Å
C15	H23	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	110.4°	109.5°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	109.2°	109.5°
O1	C1	H3	109.2°	109.4°
C1	C2	C3	111.1°	109.4°
C1	C2	N1	113.2°	109.5°
C2	C1	H2	109.3°	109.5°
C1	C2	H4	106.9°	109.5°
C2	C1	H3	109.2°	109.5°
O2	C3	C2	107.6°	109.5°
O2	C3	C4	114.3°	109.5°
O2	C3	H5	108.8°	109.6°
C3	O2	H6	109.5°	114.0°
C3	C2	N1	111.2°	109.6°
C2	C3	C4	110.9°	109.2°
C3	C2	H4	106.8°	109.4°
C2	C3	H5	107.6°	109.5°
C2	N1	C7	115.3°	111.0°
C2	N1	C6	113.7°	111.2°
N1	C2	H4	107.3°	109.5°
C7	N1	C6	107.0°	110.9°
N1	C7	C8	18.2°	109.4°
N1	C7	H13	124.8°	109.5°
N1	C7	H14	124.8°	109.5°
C3	C4	O3	111.8°	109.5°
C3	C4	C5	109.9°	109.2°
C4	C3	H5	107.6°	109.5°
C3	C4	H7	108.0°	109.5°
N1	C6	C5	113.6°	109.5°
N1	C6	H11	108.5°	109.5°
N1	C6	H12	108.4°	109.5°
O3	C4	C5	109.8°	109.5°
O3	C4	H7	109.3°	109.6°
C4	O3	H8	109.5°	114.0°
C4	C5	C6	112.2°	109.3°
C4	C5	O4	114.9°	109.5°
C5	C4	H7	108.0°	109.5°
C4	C5	H9	106.9°	109.5°
C6	C5	O4	107.1°	109.5°
C6	C5	H9	107.3°	109.5°
C5	C6	H11	108.4°	109.5°
C5	C6	H12	108.4°	109.4°
O4	C5	H9	108.1°	109.5°
C5	O4	H10	109.5°	114.0°
H2	C1	H3	109.5°	109.5°
C7	C8	O5	90.0°	109.5°
C8	C7	H13	124.8°	109.5°
C8	C7	H14	124.8°	109.5°
C7	C8	H15	90.0°	109.5°
C7	C8	H16	90.0°	109.5°
C8	O5	C9	90.0°	114.0°
O5	C8	H15	90.0°	109.4°
O5	C8	H16	90.0°	109.4°
O5	C9	C10	90.0°	109.5°
O5	C9	H17	90.0°	109.5°
O5	C9	H18	90.0°	109.5°
C10	C11	C12	90.0°	120.0°
C11	C10	C15	90.0°	120.0°
C11	C10	C9	90.0°	120.0°
C10	C11	H19	90.0°	120.0°
C11	C12	C13	90.0°	120.0°
C12	C11	H19	90.0°	120.0°
C11	C12	H20	90.0°	120.0°
C12	C13	C14	90.0°	120.0°
C13	C12	H20	90.0°	120.0°
C12	C13	H21	90.0°	120.0°
C13	C14	C15	90.0°	120.0°
C14	C13	H21	90.0°	120.0°
C13	C14	H22	90.0°	120.0°
C14	C15	C10	90.0°	120.0°
C15	C14	H22	90.0°	120.0°
C14	C15	H23	90.0°	119.9°
C15	C10	C9	90.0°	120.0°
C10	C15	H23	90.0°	120.0°
C10	C9	H17	90.0°	109.5°
C10	C9	H18	90.0°	109.5°
H11	C6	H12	109.5°	109.5°
H13	C7	H14	109.5°	109.5°
H15	C8	H16	90.0°	109.4°
H17	C9	H18	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H2	120.1°	120.0°
O1	C1	C2	H3	120.2°	120.0°
O1	C1	C2	C3	69.1°	57.3°
O1	C1	C2	N1	56.8°	177.4°
O1	C1	H2	H3	119.6°	119.9°
O1	C1	C2	H4	174.7°	62.6°
C1	C2	C3	O2	57.6°	179.2°
C1	C2	C3	N1	127.0°	120.1°
C1	C2	C3	H4	116.3°	120.0°
C1	C2	N1	H4	117.7°	120.0°
C1	C2	N1	C7	5.3°	65.8°
C1	C2	C3	C4	176.9°	60.9°
C1	C2	N1	C6	118.7°	58.2°
C2	C1	O1	H1	180.0°	180.0°
C2	C1	H2	H3	119.6°	120.0°
C1	C2	C3	H5	59.5°	59.1°
O2	C3	C2	C4	125.6°	119.9°
O2	C3	C2	H5	117.0°	120.1°
O2	C3	C2	N1	175.4°	60.7°
O2	C3	C4	H5	120.9°	120.2°
O2	C3	C4	O3	58.8°	57.7°
O2	C3	C4	C5	179.0°	62.2°
O2	C3	C2	H4	58.7°	59.3°
O2	C3	C4	H7	61.4°	177.9°
C3	C2	N1	H4	116.4°	120.0°
C3	C2	N1	C7	131.2°	174.2°
C2	C3	C4	H5	117.4°	120.0°
C3	C2	N1	C6	7.2°	61.8°
C2	C3	C4	O3	62.9°	177.5°
C2	C3	C4	C5	59.3°	57.6°
C3	C2	C1	H2	170.8°	62.7°
C2	C3	O2	H6	180.0°	180.0°
C2	C3	C4	H7	176.8°	62.3°
C3	C2	C1	H3	51.1°	177.3°
C2	N1	C7	C6	127.5°	124.2°
N1	C2	C3	C4	49.8°	59.2°
C2	N1	C6	C5	56.7°	61.8°
N1	C2	C1	H2	63.3°	57.3°
N1	C2	C3	H5	67.5°	179.2°
C2	N1	C7	C8	70.4°	75.7°
N1	C2	C1	H3	177.0°	62.7°
C2	N1	C6	H11	64.0°	178.2°
C2	N1	C6	H12	177.2°	58.2°
C2	N1	C7	H13	166.7°	164.3°
C2	N1	C7	H14	26.0°	44.3°
C7	N1	C6	C5	174.9°	174.2°
C7	N1	C2	H4	112.4°	54.2°
N1	C7	C8	H13	96.4°	120.0°
N1	C7	C8	H14	96.4°	120.1°
N1	C7	C8	O5	90.0°	64.1°
C7	N1	C6	H11	64.5°	54.2°
C7	N1	C6	H12	54.3°	65.8°
N1	C7	H13	H14	168.9°	120.1°
N1	C7	C8	H15	90.0°	175.9°
N1	C7	C8	H16	90.0°	55.9°
C3	C4	O3	C5	122.2°	119.7°
C3	C4	O3	H7	119.5°	120.2°
C3	C4	C5	H7	117.6°	119.9°
C3	C4	C5	C6	11.5°	57.7°
C3	C4	C5	O4	134.1°	62.3°
C4	C3	C2	H4	66.9°	179.2°
C4	C3	O2	H6	56.5°	60.3°
C3	C4	O3	H8	180.0°	180.0°
C3	C4	C5	H9	105.9°	177.6°
N1	C6	C5	C4	45.6°	59.2°
N1	C6	C5	H11	120.6°	120.0°
N1	C6	C5	H12	120.6°	120.0°
N1	C6	C5	O4	81.3°	60.8°
C6	N1	C2	H4	123.6°	178.3°
C6	N1	C7	C8	162.2°	160.1°
N1	C6	C5	H9	162.8°	179.2°
N1	C6	H11	H12	118.1°	120.0°
C6	N1	C7	H13	65.8°	40.2°
C6	N1	C7	H14	101.5°	79.9°
O3	C4	C5	H7	119.1°	120.2°
O3	C4	C5	C6	111.9°	177.6°
O3	C4	C5	O4	10.8°	57.6°
O3	C4	C3	H5	179.7°	62.5°
O3	C4	C5	H9	130.7°	62.4°
C4	C5	C6	O4	126.9°	119.9°
C4	C5	C6	H9	117.2°	120.0°
C4	C5	O4	H9	119.3°	120.1°
C5	C4	C3	H5	58.1°	177.6°
C5	C4	O3	H8	57.8°	60.3°
C4	C5	O4	H10	180.0°	179.9°
C4	C5	C6	H11	75.0°	179.2°
C4	C5	C6	H12	166.2°	60.8°
C6	C5	O4	H9	115.3°	120.1°
C6	C5	C4	H7	129.1°	62.3°
C6	C5	O4	H10	54.7°	60.1°
C5	C6	H11	H12	118.1°	120.0°
O4	C5	C4	H7	108.3°	177.8°
O4	C5	C6	H11	158.1°	59.2°
O4	C5	C6	H12	39.3°	179.3°
H1	O1	C1	H2	59.9°	60.0°
H1	O1	C1	H3	59.8°	60.0°
H2	C1	C2	H4	54.6°	177.3°
H4	C2	C3	H5	175.7°	60.8°
H4	C2	C1	H3	65.1°	57.3°
H5	C3	O2	H6	63.7°	59.9°
H5	C3	C4	H7	59.5°	57.7°
H7	C4	O3	H8	60.5°	59.8°
H7	C4	C5	H9	11.7°	57.7°
C7	C8	O5	H15	90.0°	120.1°
C7	C8	O5	H16	90.0°	120.0°
C7	C8	O5	C9	90.0°	180.0°
C8	C7	H13	H14	168.9°	120.0°
C7	C8	H15	H16	90.0°	120.0°
C8	O5	C9	C10	90.0°	180.0°
O5	C8	C7	H13	90.0°	55.9°
O5	C8	C7	H14	90.0°	175.8°
O5	C8	H15	H16	90.0°	119.9°
C8	O5	C9	H17	90.0°	60.0°
C8	O5	C9	H18	90.0°	60.0°
O5	C9	C10	C11	90.0°	90.0°
O5	C9	C10	C15	90.0°	90.2°
O5	C9	C10	H17	90.0°	120.0°
O5	C9	C10	H18	90.0°	120.0°
C9	O5	C8	H15	90.0°	59.9°
C9	O5	C8	H16	90.0°	60.0°
O5	C9	H17	H18	90.0°	120.0°
C10	C11	C12	H19	90.0°	179.9°
C10	C11	C12	C13	90.0°	0.0°
C11	C10	C15	C14	90.0°	0.4°
C11	C10	C15	C9	90.0°	179.8°
C11	C10	C9	H17	90.0°	30.0°
C11	C10	C9	H18	90.0°	150.0°
C10	C11	C12	H20	90.0°	180.0°
C11	C10	C15	H23	90.0°	180.0°
C11	C12	C13	H20	90.0°	180.0°
C11	C12	C13	C14	90.0°	0.0°
C12	C11	C10	C15	90.0°	0.2°
C12	C11	C10	C9	90.0°	180.0°
C11	C12	C13	H21	90.0°	179.9°
C12	C13	C14	H21	90.0°	179.9°
C12	C13	C14	C15	90.0°	0.2°
C13	C12	C11	H19	90.0°	179.9°
C12	C13	C14	H22	90.0°	180.0°
C13	C14	C15	H22	90.0°	179.8°
C13	C14	C15	C10	90.0°	0.4°
C14	C13	C12	H20	90.0°	180.0°
C13	C14	C15	H23	90.0°	180.0°
C14	C15	C10	H23	90.0°	179.6°
C14	C15	C10	C9	90.0°	179.8°
C15	C14	C13	H21	90.0°	179.8°
C15	C10	C9	H17	90.0°	149.8°
C15	C10	C9	H18	90.0°	29.7°
C15	C10	C11	H19	90.0°	179.7°
C10	C15	C14	H22	90.0°	179.7°
C10	C9	H17	H18	90.0°	120.0°
C9	C10	C11	H19	90.0°	0.1°
C9	C10	C15	H23	90.0°	0.2°
H9	C5	O4	H10	60.7°	60.0°
H9	C5	C6	H11	42.1°	60.8°
H9	C5	C6	H12	76.6°	59.2°
H13	C7	C8	H15	90.0°	64.2°
H13	C7	C8	H16	90.0°	175.9°
H14	C7	C8	H15	90.0°	55.8°
H14	C7	C8	H16	90.0°	64.2°
H19	C11	C12	H20	90.0°	0.1°
H20	C12	C13	H21	90.0°	0.1°
H21	C13	C14	H22	90.0°	0.0°
H22	C14	C15	H23	90.0°	0.1°

Release date:	2020-07-08
Definition date:	2019-05-21
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBE
Derived from:	6RS0