914

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.44Å	1.38Å
O2	C1	sing	1.43Å	1.37Å
C2	C1	sing	1.51Å	1.49Å
C1	H1	sing	1.09Å	1.10Å
F1	C3	sing	1.35Å	1.33Å
C5	N1	sing	1.37Å	1.38Å	Aromatic
C7	N1	sing	1.36Å	1.39Å	Aromatic
N1	C4	sing	1.47Å	1.47Å
C4	O1	sing	1.44Å	1.40Å
O8	P1	doub	1.48Å	1.47Å
O4	P1	sing	1.61Å	1.66Å
P1	C10	sing	1.82Å	1.85Å
P1	O3	sing	1.61Å	1.49Å
C3	C2	doub	1.32Å	1.31Å
C2	H2	sing	1.08Å	1.08Å
C6	N2	sing	1.36Å	1.34Å	Aromatic
N2	C7	doub	1.30Å	1.30Å	Aromatic
O2	C10	sing	1.43Å	1.38Å
O4	P2	sing	1.61Å	1.68Å
O5	P2	doub	1.48Å	1.49Å
P2	O6	sing	1.61Å	1.65Å
P2	O9	sing	1.61Å	1.48Å
C4	C3	sing	1.51Å	1.51Å
C8	N3	doub	1.32Å	1.35Å	Aromatic
N3	C5	sing	1.33Å	1.38Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
O7	P3	doub	1.48Å	1.52Å
P3	O6	sing	1.61Å	1.59Å
P3	O10	sing	1.61Å	1.51Å
P3	O11	sing	1.61Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
N4	C9	doub	1.33Å	1.37Å	Aromatic
N4	C8	sing	1.32Å	1.36Å	Aromatic
C6	C5	doub	1.40Å	1.44Å	Aromatic
N5	C9	sing	1.38Å	1.34Å
N5	HN5	sing	0.97Å	1.00Å
N5	HN5A	sing	0.97Å	1.00Å
C9	C6	sing	1.40Å	1.43Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
O9	HO9	sing	0.97Å	0.95Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
O10	HO10	sing	0.97Å	0.95Å
O11	HO11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	106.5°	110.2°
O1	C1	C2	105.3°	105.8°
O1	C1	H1	114.9°	110.2°
C1	O1	C4	113.1°	103.7°
O2	C1	C2	112.1°	110.3°
O2	C1	H1	108.5°	110.2°
C1	O2	C10	114.8°	114.0°
C2	C1	H1	109.6°	110.2°
C1	C2	C3	108.1°	108.3°
C1	C2	H2	126.0°	125.9°
F1	C3	C2	123.7°	125.8°
F1	C3	C4	125.2°	125.8°
C5	N1	C7	104.0°	107.4°
C5	N1	C4	127.7°	126.3°
N1	C5	N3	128.5°	134.9°
N1	C5	C6	105.0°	106.0°
C7	N1	C4	128.3°	126.2°
N1	C7	N2	115.5°	110.0°
N1	C7	H7	122.2°	125.1°
N1	C4	O1	108.0°	110.2°
N1	C4	C3	110.4°	110.2°
N1	C4	H4	107.8°	110.1°
O1	C4	C3	102.3°	105.8°
O1	C4	H4	115.1°	110.2°
O8	P1	O4	104.5°	109.5°
O8	P1	C10	109.0°	109.5°
O8	P1	O3	119.6°	109.5°
O4	P1	C10	97.1°	109.5°
O4	P1	O3	114.4°	109.5°
P1	O4	P2	135.7°	134.0°
C10	P1	O3	109.8°	109.5°
P1	C10	O2	109.0°	109.4°
P1	C10	H10	109.6°	109.4°
P1	C10	H10A	109.6°	109.5°
P1	O3	HO3	109.5°	114.0°
C3	C2	H2	126.0°	125.8°
C2	C3	C4	111.0°	108.3°
C6	N2	C7	104.5°	109.4°
N2	C6	C5	111.0°	107.1°
N2	C6	C9	134.0°	134.7°
N2	C7	H7	122.2°	125.0°
O2	C10	H10	109.6°	109.5°
O2	C10	H10A	109.6°	109.5°
O4	P2	O5	108.7°	109.5°
O4	P2	O6	105.4°	109.4°
O4	P2	O9	107.8°	109.5°
O5	P2	O6	110.5°	109.5°
O5	P2	O9	117.5°	109.5°
O6	P2	O9	106.3°	109.5°
P2	O6	P3	143.7°	134.0°
P2	O9	HO9	109.5°	114.0°
C3	C4	H4	113.0°	110.3°
C8	N3	C5	111.9°	120.7°
N3	C8	N4	127.8°	122.4°
N3	C8	H8	116.1°	118.8°
N3	C5	C6	126.5°	119.1°
O7	P3	O6	105.8°	109.5°
O7	P3	O10	113.0°	109.5°
O7	P3	O11	113.5°	109.5°
O6	P3	O10	106.3°	109.5°
O6	P3	O11	104.6°	109.4°
O10	P3	O11	112.8°	109.5°
P3	O10	HO10	109.5°	114.0°
P3	O11	HO11	109.5°	114.0°
C9	N4	C8	119.9°	121.2°
N4	C9	N5	118.3°	120.8°
N4	C9	C6	119.0°	118.4°
N4	C8	H8	116.1°	118.8°
C5	C6	C9	115.0°	118.2°
C9	N5	HN5	109.5°	120.0°
C9	N5	HN5A	109.5°	120.0°
N5	C9	C6	122.7°	120.8°
HN5	N5	HN5A	109.4°	120.0°
H10	C10	H10A	109.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	114.6°	116.4°
O1	C1	O2	H1	124.2°	121.8°
O1	C1	C2	H1	124.2°	119.0°
C1	O1	C4	N1	112.7°	91.8°
O1	C1	C2	C3	1.8°	17.4°
O1	C1	C2	H2	178.2°	162.7°
O1	C1	O2	C10	150.5°	72.4°
C1	O1	C4	C3	3.8°	27.3°
C1	O1	C4	H4	126.8°	146.5°
O2	C1	C2	H1	120.5°	121.8°
O2	C1	O1	C4	115.5°	91.9°
C1	O2	C10	P1	179.8°	75.0°
O2	C1	C2	C3	113.5°	101.8°
O2	C1	C2	H2	66.5°	78.2°
C1	O2	C10	H10	60.2°	44.9°
C1	O2	C10	H10A	59.8°	165.0°
C1	C2	C3	F1	179.3°	180.0°
C2	C1	O1	C4	3.6°	27.3°
C1	C2	C3	H2	180.0°	179.9°
C2	C1	O2	C10	94.9°	171.2°
C1	C2	C3	C4	0.5°	0.0°
H1	C1	O1	C4	124.3°	146.4°
H1	C1	C2	C3	126.0°	136.4°
H1	C1	C2	H2	54.1°	43.6°
H1	C1	O2	C10	26.2°	49.4°
F1	C3	C4	N1	68.0°	78.3°
F1	C3	C4	O1	177.2°	162.6°
F1	C3	C2	C4	179.7°	180.0°
F1	C3	C2	H2	0.8°	0.1°
F1	C3	C4	H4	52.8°	43.5°
C5	N1	C7	C4	179.5°	179.7°
C5	N1	C4	O1	177.3°	162.3°
N1	C5	C6	N2	0.2°	0.0°
C5	N1	C7	N2	0.4°	0.5°
C5	N1	C4	C3	71.6°	81.4°
N1	C5	N3	C8	179.8°	180.0°
N1	C5	N3	C6	179.8°	180.0°
C5	N1	C4	H4	52.3°	40.5°
N1	C5	C6	C9	179.8°	179.7°
C5	N1	C7	H7	179.6°	180.0°
C7	N1	C4	O1	2.1°	17.4°
N1	C7	N2	C6	0.3°	0.5°
N1	C7	N2	H7	180.0°	179.5°
C7	N1	C4	C3	109.1°	99.0°
C7	N1	C5	N3	179.8°	179.7°
C7	N1	C4	H4	127.1°	139.1°
C7	N1	C5	C6	0.3°	0.3°
N1	C4	O1	C3	116.5°	119.1°
N1	C4	O1	H4	120.5°	121.7°
N1	C4	C3	C2	112.3°	101.7°
C4	N1	C7	N2	179.9°	179.8°
N1	C4	C3	H4	120.8°	121.8°
C4	N1	C5	N3	0.3°	0.0°
C4	N1	C5	C6	179.8°	180.0°
C4	N1	C7	H7	0.1°	0.3°
O1	C4	C3	C2	2.5°	17.4°
O1	C4	C3	H4	124.4°	119.1°
O8	P1	O4	C10	111.8°	120.0°
O8	P1	O4	O3	132.6°	120.0°
O8	P1	C10	O3	132.8°	120.0°
O8	P1	C10	O2	2.8°	60.0°
O8	P1	O4	P2	151.8°	60.0°
O8	P1	O3	HO3	0.0°	180.0°
O8	P1	C10	H10	122.8°	60.0°
O8	P1	C10	H10A	117.2°	180.0°
O4	P1	C10	O3	119.1°	120.0°
O4	P1	C10	O2	105.3°	180.0°
P1	O4	P2	O5	127.7°	45.0°
P1	O4	P2	O6	113.9°	165.0°
P1	O4	P2	O9	0.6°	75.0°
O4	P1	O3	HO3	125.0°	60.0°
O4	P1	C10	H10	14.7°	60.0°
O4	P1	C10	H10A	134.7°	60.0°
P1	C10	O2	H10	120.0°	120.0°
P1	C10	O2	H10A	120.0°	120.0°
C10	P1	O4	P2	40.0°	180.0°
C10	P1	O3	HO3	127.0°	60.0°
P1	C10	H10	H10A	120.2°	120.0°
O3	P1	C10	O2	135.6°	60.0°
O3	P1	O4	P2	75.6°	60.0°
O3	P1	C10	H10	104.4°	180.0°
O3	P1	C10	H10A	15.6°	60.0°
C2	C3	C4	H4	127.0°	136.5°
H2	C2	C3	C4	179.5°	179.9°
N2	C6	C5	N3	180.0°	180.0°
N2	C6	C9	N4	179.7°	180.0°
N2	C6	C5	C9	179.6°	179.8°
N2	C6	C9	N5	0.6°	0.1°
C6	N2	C7	H7	179.8°	180.0°
C7	N2	C6	C5	0.0°	0.3°
C7	N2	C6	C9	179.5°	180.0°
O2	C10	H10	H10A	120.2°	120.1°
O4	P2	O5	O6	115.2°	120.0°
O4	P2	O5	O9	122.7°	120.0°
O4	P2	O6	O9	114.2°	120.0°
O4	P2	O6	P3	0.1°	160.0°
O4	P2	O9	HO9	123.1°	60.0°
O5	P2	O6	O9	128.5°	120.0°
O5	P2	O6	P3	117.3°	40.0°
O5	P2	O9	HO9	0.0°	180.0°
P2	O6	P3	O7	62.8°	44.9°
P2	O6	P3	O10	57.6°	165.0°
P2	O6	P3	O11	177.1°	75.0°
O6	P2	O9	HO9	124.3°	60.0°
O9	P2	O6	P3	114.2°	80.0°
N3	C8	N4	C9	0.2°	0.2°
N3	C8	N4	H8	180.0°	179.8°
C8	N3	C5	C6	0.5°	0.0°
C5	N3	C8	N4	0.4°	0.3°
N3	C5	C6	C9	0.4°	0.2°
C5	N3	C8	H8	179.6°	179.9°
O7	P3	O6	O10	120.4°	120.1°
O7	P3	O6	O11	120.1°	120.0°
O7	P3	O10	O11	130.3°	120.0°
O7	P3	O10	HO10	0.0°	59.9°
O7	P3	O11	HO11	0.0°	180.0°
O6	P3	O10	O11	114.0°	119.9°
O6	P3	O10	HO10	115.6°	180.0°
O6	P3	O11	HO11	114.8°	60.0°
O10	P3	O11	HO11	130.1°	60.0°
O11	P3	O10	HO10	130.3°	60.1°
N4	C9	C6	C5	0.1°	0.3°
N4	C9	N5	C6	179.8°	180.0°
N4	C9	N5	HN5	0.0°	0.0°
N4	C9	N5	HN5A	120.0°	180.0°
C9	N4	C8	H8	179.7°	180.0°
C8	N4	C9	N5	179.9°	179.9°
C8	N4	C9	C6	0.1°	0.1°
C5	C6	C9	N5	179.9°	179.7°
C9	N5	HN5	HN5A	120.0°	180.0°
HN5	N5	C9	C6	179.8°	180.0°
HN5A	N5	C9	C6	60.2°	0.0°

Definition date:	2009-11-24
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3KK1