NWW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAC	CAW	doub	1.21Å	1.22Å
N7	C8	doub	1.30Å	1.34Å	Aromatic
N7	C5	sing	1.35Å	1.35Å	Aromatic
C8	N9	sing	1.36Å	1.34Å	Aromatic
N6	C6	sing	1.38Å	1.47Å
CAW	NAT	sing	1.35Å	1.46Å
CAW	CBD	sing	1.51Å	1.53Å
C5	C6	doub	1.41Å	1.43Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
N9	C4	sing	1.37Å	1.35Å	Aromatic
N9	CBE	sing	1.46Å	1.44Å
C6	N1	sing	1.33Å	1.33Å	Aromatic
CBC	CBE	sing	1.54Å	1.35Å
CBC	CBB	sing	1.55Å	1.50Å
CBC	OAE	sing	1.43Å	1.50Å
OAU	CBD	sing	1.44Å	1.30Å
OAU	CBE	sing	1.45Å	1.61Å
CBD	CBB	sing	1.54Å	1.59Å
C4	N3	doub	1.33Å	1.37Å	Aromatic
CBB	OAD	sing	1.43Å	1.32Å
N1	C2	doub	1.32Å	1.36Å	Aromatic
N3	C2	sing	1.32Å	1.32Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
CBB	H3	sing	1.09Å	1.10Å
CBC	H4	sing	1.09Å	1.10Å
CBD	H5	sing	1.09Å	1.10Å
CBE	H6	sing	1.09Å	1.10Å
N6	H7	sing	0.97Å	1.00Å
N6	H8	sing	0.97Å	1.00Å
NAT	H9	sing	0.97Å	1.00Å
NAT	H10	sing	0.97Å	1.00Å
OAD	H11	sing	0.97Å	0.95Å
OAE	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAC	CAW	NAT	120.6°	120.0°
OAC	CAW	CBD	119.2°	120.0°
C8	N7	C5	108.7°	109.5°
N7	C8	N9	109.1°	110.0°
N7	C8	H1	125.4°	125.0°
N7	C5	C6	134.8°	134.7°
N7	C5	C4	106.6°	107.1°
C8	N9	C4	108.0°	107.4°
C8	N9	CBE	127.7°	126.3°
N9	C8	H1	125.5°	125.0°
N6	C6	C5	121.5°	120.8°
N6	C6	N1	120.1°	120.8°
C6	N6	H7	109.5°	120.0°
C6	N6	H8	109.5°	120.0°
NAT	CAW	CBD	120.2°	120.0°
CAW	NAT	H9	120.0°	120.0°
CAW	NAT	H10	120.0°	120.0°
CAW	CBD	OAU	109.3°	110.3°
CAW	CBD	CBB	110.9°	110.4°
CAW	CBD	H5	109.5°	110.3°
C6	C5	C4	118.7°	118.2°
C5	C6	N1	118.5°	118.4°
C5	C4	N9	107.6°	106.0°
C5	C4	N3	119.3°	119.1°
C4	N9	CBE	124.3°	126.3°
N9	C4	N3	133.1°	134.9°
N9	CBE	CBC	113.5°	110.4°
N9	CBE	OAU	110.9°	110.5°
N9	CBE	H6	109.8°	110.4°
C6	N1	C2	120.7°	121.2°
CBE	CBC	CBB	100.6°	104.1°
CBE	CBC	OAE	110.4°	110.5°
CBC	CBE	OAU	103.5°	104.8°
CBE	CBC	H4	112.9°	110.5°
CBC	CBE	H6	111.2°	110.4°
CBB	CBC	OAE	111.6°	110.5°
CBC	CBB	CBD	102.6°	104.2°
CBC	CBB	OAD	110.0°	110.5°
CBC	CBB	H3	111.2°	110.5°
CBB	CBC	H4	110.5°	110.5°
OAE	CBC	H4	110.4°	110.5°
CBC	OAE	H12	109.5°	114.1°
CBD	OAU	CBE	107.0°	105.3°
OAU	CBD	CBB	105.4°	104.8°
OAU	CBD	H5	113.0°	110.4°
OAU	CBE	H6	107.6°	110.4°
CBD	CBB	OAD	108.1°	110.5°
CBD	CBB	H3	110.0°	110.5°
CBB	CBD	H5	108.7°	110.4°
C4	N3	C2	120.3°	120.7°
OAD	CBB	H3	114.2°	110.4°
CBB	OAD	H11	109.5°	114.1°
N1	C2	N3	122.5°	122.4°
N1	C2	H2	118.7°	118.8°
N3	C2	H2	118.7°	118.8°
H7	N6	H8	109.4°	120.0°
H9	NAT	H10	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAC	CAW	NAT	CBD	180.0°	180.0°
OAC	CAW	CBD	OAU	46.3°	0.4°
OAC	CAW	CBD	CBB	69.4°	115.0°
OAC	CAW	CBD	H5	170.6°	122.7°
OAC	CAW	NAT	H9	0.0°	180.0°
OAC	CAW	NAT	H10	180.0°	0.0°
N7	C8	N9	H1	180.0°	179.6°
C8	N7	C5	C6	179.3°	180.0°
C8	N7	C5	C4	0.7°	0.1°
N7	C8	N9	C4	0.3°	0.4°
N7	C8	N9	CBE	178.8°	180.0°
C5	N7	C8	N9	0.2°	0.3°
N7	C5	C6	N6	0.7°	0.1°
N7	C5	C6	C4	180.0°	179.9°
N7	C5	C4	N9	0.9°	0.2°
N7	C5	C6	N1	179.4°	179.9°
N7	C5	C4	N3	180.0°	180.0°
C5	N7	C8	H1	179.7°	179.9°
C8	N9	C4	C5	0.8°	0.4°
C8	N9	C4	CBE	178.5°	179.6°
C8	N9	CBE	CBC	34.0°	95.1°
C8	N9	CBE	OAU	82.1°	20.3°
C8	N9	C4	N3	179.7°	179.9°
C8	N9	CBE	H6	159.2°	142.7°
N6	C6	C5	N1	178.6°	180.0°
N6	C6	C5	C4	179.3°	180.0°
N6	C6	N1	C2	179.9°	180.0°
C6	N6	H7	H8	120.0°	179.9°
NAT	CAW	CBD	OAU	133.7°	179.6°
NAT	CAW	CBD	CBB	110.5°	65.0°
NAT	CAW	CBD	H5	9.4°	57.3°
CAW	NAT	H9	H10	180.0°	180.0°
CAW	CBD	CBB	CBC	95.5°	142.8°
CAW	CBD	OAU	CBB	119.3°	118.9°
CAW	CBD	OAU	H5	122.1°	122.2°
CAW	CBD	OAU	CBE	122.3°	159.2°
CAW	CBD	CBB	H5	120.4°	122.2°
CAW	CBD	CBB	OAD	148.4°	98.5°
CAW	CBD	CBB	H3	23.0°	24.0°
CBD	CAW	NAT	H9	180.0°	0.0°
CBD	CAW	NAT	H10	0.0°	180.0°
C6	C5	C4	N9	179.0°	179.7°
C6	C5	C4	N3	0.0°	0.1°
C5	C6	N1	C2	1.3°	0.1°
C5	C6	N6	H7	178.6°	0.0°
C5	C6	N6	H8	58.6°	179.9°
C5	C4	N9	N3	178.9°	179.7°
C5	C4	N9	CBE	179.3°	179.9°
C4	C5	C6	N1	0.7°	0.1°
C5	C4	N3	C2	0.0°	0.1°
C4	N9	CBE	CBC	147.7°	85.4°
C4	N9	CBE	OAU	96.2°	159.2°
N9	C4	N3	C2	178.8°	179.7°
C4	N9	C8	H1	179.7°	180.0°
C4	N9	CBE	H6	22.6°	36.8°
N9	CBE	CBC	OAU	120.3°	119.0°
N9	CBE	CBC	H6	124.4°	122.3°
N9	CBE	CBC	CBB	164.1°	142.9°
N9	CBE	CBC	OAE	77.9°	98.4°
N9	CBE	OAU	CBD	153.5°	159.3°
N9	CBE	OAU	H6	120.1°	122.3°
CBE	N9	C4	N3	1.8°	0.3°
CBE	N9	C8	H1	1.2°	0.5°
N9	CBE	CBC	H4	46.3°	24.3°
C6	N1	C2	N3	1.2°	0.1°
C6	N1	C2	H2	178.8°	180.0°
N1	C6	N6	H7	0.0°	180.0°
N1	C6	N6	H8	120.0°	0.0°
CBE	CBC	CBB	OAE	117.1°	118.7°
CBE	CBC	CBB	H4	119.6°	118.6°
CBE	CBC	OAE	H4	125.6°	122.7°
CBC	CBE	OAU	CBD	31.4°	40.4°
CBC	CBE	OAU	H6	117.8°	118.8°
CBE	CBC	CBB	CBD	42.4°	0.0°
CBE	CBC	CBB	OAD	72.4°	118.7°
CBE	CBC	CBB	H3	160.0°	118.8°
CBE	CBC	OAE	H12	180.0°	180.0°
CBB	CBC	OAE	H4	123.4°	122.6°
CBC	CBB	CBD	OAU	22.7°	23.9°
CBB	CBC	CBE	OAU	43.8°	23.9°
CBC	CBB	CBD	OAD	116.2°	118.7°
CBC	CBB	CBD	H3	118.5°	118.7°
CBC	CBB	OAD	H3	125.9°	122.6°
CBC	CBB	CBD	H5	144.1°	95.0°
CBB	CBC	CBE	H6	71.5°	94.9°
CBC	CBB	OAD	H11	180.0°	178.1°
CBB	CBC	OAE	H12	69.0°	65.3°
OAE	CBC	CBE	OAU	161.8°	142.6°
OAE	CBC	CBB	CBD	159.5°	118.8°
OAE	CBC	CBB	OAD	44.7°	0.1°
OAE	CBC	CBB	H3	82.8°	122.5°
OAE	CBC	CBE	H6	46.5°	23.8°
OAU	CBD	CBB	H5	121.5°	118.9°
OAU	CBD	CBB	OAD	93.5°	142.6°
OAU	CBD	CBB	H3	141.1°	94.8°
CBD	OAU	CBE	H6	86.4°	78.4°
CBE	OAU	CBD	CBB	3.1°	40.4°
OAU	CBE	CBC	H4	74.0°	94.7°
CBE	OAU	CBD	H5	115.5°	78.6°
CBD	CBB	OAD	H3	122.8°	122.6°
CBD	CBB	CBC	H4	77.2°	118.6°
CBD	CBB	OAD	H11	68.7°	63.3°
C4	N3	C2	N1	0.6°	0.1°
C4	N3	C2	H2	179.4°	180.0°
OAD	CBB	CBC	H4	168.0°	122.7°
OAD	CBB	CBD	H5	28.0°	23.7°
N1	C2	N3	H2	180.0°	179.9°
H3	CBB	CBC	H4	40.5°	0.1°
H3	CBB	CBD	H5	97.4°	146.3°
H3	CBB	OAD	H11	54.1°	59.3°
H4	CBC	CBE	H6	170.7°	146.5°
H4	CBC	OAE	H12	54.4°	57.3°

Release date:	2020-03-04
Definition date:	2020-01-02
Last modified:	2020-02-28
Release status:	REL
Processing site:	PDBE
Derived from:	6TTV