9K9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	doub	1.22Å	1.23Å
N3	C	sing	1.35Å	1.35Å	Aromatic
N3	C4	doub	1.30Å	1.36Å	Aromatic
C2	C	sing	1.47Å	1.48Å
C2	N1	sing	1.34Å	1.33Å
C	C1	doub	1.39Å	1.48Å	Aromatic
N1	C3	doub	1.32Å	1.34Å
C4	N2	sing	1.36Å	1.36Å	Aromatic
C1	N2	sing	1.36Å	1.33Å	Aromatic
C1	N	sing	1.37Å	1.35Å
N2	C5	sing	1.46Å	1.49Å
C3	N	sing	1.36Å	1.37Å
C3	N4	sing	1.37Å	1.35Å
O1	C5	sing	1.44Å	1.45Å
O1	C8	sing	1.44Å	1.44Å
C5	C6	sing	1.54Å	1.52Å
O2	C9	sing	1.43Å	1.45Å
C9	C8	sing	1.53Å	1.52Å
C8	C7	sing	1.55Å	1.52Å
C6	O3	sing	1.45Å	1.40Å
C6	C7	sing	1.55Å	1.51Å
O3	P	sing	1.63Å	1.57Å
C7	O4	sing	1.43Å	1.41Å
O4	P	sing	1.63Å	1.58Å
P	O5	doub	1.48Å	1.49Å
P	O6	sing	1.61Å	1.50Å
C4	H1	sing	1.08Å	1.08Å
N4	H2	sing	0.97Å	1.00Å
N4	H3	sing	0.97Å	1.00Å
N	H4	sing	0.97Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
O2	H10	sing	0.97Å	0.95Å
C7	H11	sing	1.09Å	1.10Å
O6	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	C	121.7°	120.7°
O	C2	N1	119.3°	120.8°
C	N3	C4	105.2°	109.2°
N3	C	C2	136.5°	134.5°
N3	C	C1	108.0°	107.4°
N3	C4	N2	113.0°	109.5°
N3	C4	H1	123.5°	125.2°
C	C2	N1	119.1°	118.6°
C2	C	C1	115.5°	118.1°
C2	N1	C3	122.5°	121.4°
C	C1	N2	106.2°	106.4°
C	C1	N	120.1°	118.9°
N1	C3	N	123.0°	122.5°
N1	C3	N4	116.9°	118.8°
C4	N2	C1	107.6°	107.5°
C4	N2	C5	128.4°	126.3°
N2	C4	H1	123.5°	125.2°
N2	C1	N	133.6°	134.7°
C1	N2	C5	124.0°	126.3°
C1	N	C3	119.8°	120.6°
C1	N	H4	120.1°	119.7°
N2	C5	O1	110.7°	109.9°
N2	C5	C6	111.2°	109.9°
N2	C5	H5	109.7°	109.9°
N	C3	N4	120.2°	118.7°
C3	N	H4	120.1°	119.7°
C3	N4	H2	120.0°	120.0°
C3	N4	H3	120.0°	120.0°
C5	O1	C8	110.5°	107.0°
O1	C5	C6	105.7°	107.3°
O1	C5	H5	110.3°	110.0°
O1	C8	C9	109.9°	110.6°
O1	C8	C7	105.5°	103.5°
O1	C8	H7	110.9°	110.7°
C5	C6	O3	113.7°	107.7°
C5	C6	C7	106.4°	104.0°
C6	C5	H5	109.2°	109.9°
C5	C6	H6	109.2°	112.3°
O2	C9	C8	109.8°	109.4°
O2	C9	H8	109.4°	109.5°
O2	C9	H9	109.4°	109.5°
C9	O2	H10	109.5°	114.0°
C9	C8	C7	111.0°	110.6°
C9	C8	H7	109.7°	110.7°
C8	C9	H8	109.4°	109.4°
C8	C9	H9	109.4°	109.5°
C8	C7	C6	106.4°	102.3°
C8	C7	O4	113.8°	109.8°
C7	C8	H7	109.7°	110.6°
C8	C7	H11	108.5°	111.3°
O3	C6	C7	107.2°	107.3°
C6	O3	P	112.9°	101.8°
O3	C6	H6	111.0°	112.2°
C6	C7	O4	109.3°	110.3°
C7	C6	H6	109.3°	112.8°
C6	C7	H11	108.6°	111.2°
O3	P	O4	99.1°	102.2°
O3	P	O5	114.2°	110.9°
O3	P	O6	109.5°	110.9°
C7	O4	P	111.0°	105.0°
O4	C7	H11	110.1°	111.6°
O4	P	O5	105.6°	110.9°
O4	P	O6	112.2°	110.9°
O5	P	O6	115.1°	110.8°
P	O6	H12	109.5°	114.0°
H2	N4	H3	120.0°	120.0°
H8	C9	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	C	N3	0.7°	0.0°
O	C2	C	N1	178.6°	179.7°
O	C2	C	C1	178.4°	180.0°
O	C2	N1	C3	179.5°	180.0°
N3	C	C2	C1	179.1°	180.0°
N3	C	C2	N1	179.3°	179.7°
C	N3	C4	N2	1.3°	0.1°
N3	C	C1	N2	0.3°	0.0°
N3	C	C1	N	179.3°	180.0°
C	N3	C4	H1	178.7°	179.9°
C4	N3	C	C2	179.9°	179.9°
C4	N3	C	C1	1.0°	0.1°
N3	C4	N2	H1	180.0°	179.9°
N3	C4	N2	C1	1.2°	0.0°
N3	C4	N2	C5	179.2°	180.0°
C	C2	N1	C3	0.9°	0.3°
C2	C	C1	N2	179.7°	180.0°
C2	C	C1	N	1.4°	0.0°
N1	C2	C	C1	0.2°	0.3°
C2	N1	C3	N	0.8°	0.1°
C2	N1	C3	N4	178.6°	180.0°
C	C1	N2	C4	0.5°	0.0°
C	C1	N2	N	178.8°	180.0°
C	C1	N2	C5	179.9°	180.0°
C	C1	N	C3	1.5°	0.2°
C	C1	N	H4	178.5°	180.0°
N1	C3	N	C1	0.5°	0.2°
N1	C3	N	N4	179.4°	180.0°
N1	C3	N4	H2	0.0°	0.0°
N1	C3	N4	H3	180.0°	179.9°
N1	C3	N	H4	179.5°	180.0°
C4	N2	C1	C5	179.6°	180.0°
C4	N2	C1	N	178.3°	180.0°
C4	N2	C5	O1	122.0°	22.9°
C4	N2	C5	C6	120.8°	94.9°
C4	N2	C5	H5	0.1°	144.1°
N2	C1	N	C3	179.9°	179.8°
C1	N2	C5	O1	58.5°	157.1°
C1	N2	C5	C6	58.7°	85.0°
C1	N2	C4	H1	178.8°	179.9°
N2	C1	N	H4	0.1°	0.0°
C1	N2	C5	H5	179.7°	36.0°
N	C1	N2	C5	1.3°	0.0°
C1	N	C3	H4	180.0°	179.8°
C1	N	C3	N4	179.8°	179.7°
N2	C5	O1	C6	120.5°	119.4°
N2	C5	O1	H5	121.5°	121.1°
N2	C5	O1	C8	141.6°	145.9°
N2	C5	C6	H5	121.2°	121.0°
N2	C5	C6	O3	113.6°	124.8°
N2	C5	C6	C7	128.8°	121.5°
C5	N2	C4	H1	0.7°	0.1°
N2	C5	C6	H6	10.9°	0.8°
N	C3	N4	H2	179.4°	179.9°
N	C3	N4	H3	0.6°	0.0°
C3	N4	H2	H3	180.0°	179.9°
N4	C3	N	H4	0.2°	0.0°
O1	C5	C6	H5	118.7°	119.6°
C5	O1	C8	C9	144.4°	158.4°
C5	O1	C8	C7	24.6°	40.0°
O1	C5	C6	O3	126.3°	115.7°
O1	C5	C6	C7	8.6°	2.1°
O1	C5	C6	H6	109.3°	120.2°
C5	O1	C8	H7	94.1°	78.6°
C8	O1	C5	C6	21.0°	26.5°
O1	C8	C9	O2	54.2°	66.5°
O1	C8	C9	C7	116.3°	114.0°
O1	C8	C9	H7	122.2°	123.1°
O1	C8	C7	H7	119.5°	118.6°
O1	C8	C7	C6	18.1°	37.0°
O1	C8	C7	O4	138.5°	154.1°
C8	O1	C5	H5	96.9°	93.0°
O1	C8	C9	H8	174.3°	173.5°
O1	C8	C9	H9	65.8°	53.5°
O1	C8	C7	H11	98.6°	81.9°
C5	C6	C7	C8	5.7°	20.8°
C5	C6	O3	C7	117.2°	111.4°
C5	C6	O3	H6	123.5°	124.1°
C5	C6	C7	H6	117.8°	121.9°
C5	C6	O3	P	124.1°	146.7°
C5	C6	C7	O4	129.0°	137.6°
C5	C6	C7	H11	110.9°	98.1°
O2	C9	C8	H8	120.0°	120.0°
O2	C9	C8	H9	120.0°	120.0°
O2	C9	C8	C7	62.1°	179.5°
O2	C9	C8	H7	176.4°	56.6°
O2	C9	H8	H9	119.8°	120.1°
C9	C8	C7	H7	121.4°	123.0°
C9	C8	C7	C6	137.1°	155.4°
C9	C8	C7	O4	102.5°	87.5°
C8	C9	H8	H9	119.9°	120.0°
C8	C9	O2	H10	180.0°	180.0°
C9	C8	C7	H11	20.4°	36.5°
C8	C7	C6	O3	116.2°	93.1°
C8	C7	C6	O4	123.3°	116.7°
C8	C7	C6	H11	116.7°	118.9°
C8	C7	O4	H11	122.1°	123.8°
C8	C7	O4	P	114.2°	112.4°
C8	C7	C6	H6	123.5°	142.8°
C7	C8	C9	H8	57.9°	59.5°
C7	C8	C9	H9	177.8°	60.5°
O3	C6	C7	H6	120.3°	124.1°
O3	C6	C7	O4	7.1°	23.6°
C6	O3	P	O4	4.0°	34.4°
C6	O3	P	O5	115.8°	152.7°
C6	O3	P	O6	113.6°	83.8°
O3	C6	C5	H5	7.6°	3.9°
O3	C6	C7	H11	127.2°	148.0°
C7	C6	O3	P	6.9°	35.3°
C6	C7	O4	H11	119.2°	124.2°
C6	C7	O4	P	4.6°	0.4°
C7	C6	C5	H5	110.1°	117.5°
C6	C7	C8	H7	101.5°	81.6°
O3	P	O4	C7	0.6°	20.8°
O3	P	O4	O5	118.4°	118.2°
O3	P	O4	O6	115.5°	118.2°
O3	P	O5	O6	127.8°	123.6°
P	O3	C6	H6	112.4°	89.2°
O3	P	O6	H12	130.2°	180.0°
C7	O4	P	O5	117.8°	139.0°
C7	O4	P	O6	116.1°	97.4°
O4	C7	C6	H6	113.3°	100.5°
O4	C7	C8	H7	18.9°	35.5°
O4	P	O5	O6	124.3°	123.6°
P	O4	C7	H11	123.8°	123.8°
O4	P	O6	H12	120.8°	67.2°
O5	P	O6	H12	0.0°	56.5°
H5	C5	C6	H6	132.1°	120.2°
H6	C6	C7	H11	6.8°	23.8°
H7	C8	C9	H8	63.5°	63.4°
H7	C8	C9	H9	56.4°	176.6°
H7	C8	C7	H11	141.8°	159.5°
H8	C9	O2	H10	59.9°	60.1°
H9	C9	O2	H10	59.9°	60.0°

Release date:	2019-01-30
Definition date:	2018-05-19
Last modified:	2019-01-25
Release status:	REL
Processing site:	RCSB
Derived from:	5ZSL