1Q9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.35Å	1.47Å	Aromatic
C1	N3	doub	1.32Å	1.47Å	Aromatic
C1	N6	sing	1.38Å	1.33Å
C2	N6	sing	1.46Å	1.48Å
C2	CG	sing	1.51Å	1.49Å
N1	N5	sing	1.41Å	1.27Å	Aromatic
C3	O1	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.52Å
O1	CD2	sing	1.36Å	1.38Å
N3	N4	sing	1.28Å	1.27Å	Aromatic
N4	N5	doub	1.29Å	1.46Å	Aromatic
CG	CD1	doub	1.38Å	1.40Å	Aromatic
CG	CD2	sing	1.39Å	1.39Å	Aromatic
CD1	CE1	sing	1.38Å	1.39Å	Aromatic
CE1	CZ	doub	1.38Å	1.36Å	Aromatic
CZ	CE2	sing	1.38Å	1.40Å	Aromatic
CE2	CD2	doub	1.39Å	1.41Å	Aromatic
CE1	CL1	sing	1.51Å	1.79Å
CE2	CL2	sing	1.51Å	1.87Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N1	H3	sing	0.97Å	1.00Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
N6	H9	sing	0.97Å	1.00Å
CD1	H10	sing	1.08Å	1.08Å
CZ	H11	sing	1.08Å	1.08Å
CL1	H12	sing	1.09Å	1.10Å
CL1	H13	sing	1.09Å	1.10Å
CL1	H14	sing	1.09Å	1.10Å
CL2	H15	sing	1.09Å	1.10Å
CL2	H16	sing	1.09Å	1.10Å
CL2	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	N3	104.4°	107.1°
N1	C1	N6	126.8°	126.4°
C1	N1	N5	108.0°	105.2°
C1	N1	H3	126.0°	127.4°
N3	C1	N6	128.8°	126.4°
C1	N3	N4	107.7°	110.5°
C1	N6	C2	121.0°	120.0°
C1	N6	H9	106.5°	120.0°
N6	C2	CG	112.3°	109.5°
N6	C2	H1	108.8°	109.5°
N6	C2	H2	108.8°	109.5°
C2	N6	H9	106.5°	120.0°
C2	CG	CD1	119.0°	120.0°
C2	CG	CD2	121.7°	120.1°
CG	C2	H1	108.7°	109.5°
CG	C2	H2	108.7°	109.5°
N1	N5	N4	109.6°	106.9°
N5	N1	H3	126.0°	127.4°
O1	C3	C4	108.4°	109.4°
C3	O1	CD2	114.8°	117.0°
O1	C3	H4	109.7°	109.5°
O1	C3	H5	109.7°	109.5°
C4	C3	H4	109.7°	109.5°
C4	C3	H5	109.7°	109.4°
C3	C4	H6	109.5°	109.4°
C3	C4	H7	109.5°	109.5°
C3	C4	H8	109.5°	109.4°
O1	CD2	CG	118.0°	120.1°
O1	CD2	CE2	121.5°	120.1°
N3	N4	N5	110.2°	110.3°
CD1	CG	CD2	119.3°	120.0°
CG	CD1	CE1	117.5°	120.0°
CG	CD1	H10	121.3°	120.0°
CG	CD2	CE2	120.5°	119.9°
CD1	CE1	CZ	126.1°	120.1°
CD1	CE1	CL1	117.5°	119.9°
CE1	CD1	H10	121.3°	120.0°
CE1	CZ	CE2	115.6°	120.1°
CZ	CE1	CL1	116.4°	120.0°
CE1	CZ	H11	122.2°	120.0°
CZ	CE2	CD2	121.0°	119.9°
CZ	CE2	CL2	115.8°	120.0°
CE2	CZ	H11	122.2°	120.0°
CD2	CE2	CL2	123.2°	120.0°
CE1	CL1	H12	109.5°	109.5°
CE1	CL1	H13	109.5°	109.5°
CE1	CL1	H14	109.4°	109.4°
CE2	CL2	H15	109.5°	109.5°
CE2	CL2	H16	109.4°	109.4°
CE2	CL2	H17	109.5°	109.5°
H1	C2	H2	109.5°	109.5°
H4	C3	H5	109.5°	109.5°
H6	C4	H7	109.5°	109.5°
H6	C4	H8	109.4°	109.5°
H7	C4	H8	109.5°	109.5°
H12	CL1	H13	109.4°	109.5°
H12	CL1	H14	109.5°	109.5°
H13	CL1	H14	109.5°	109.5°
H15	CL2	H16	109.5°	109.5°
H15	CL2	H17	109.5°	109.5°
H16	CL2	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N3	N6	179.7°	179.7°
N1	C1	N6	C2	6.3°	0.0°
C1	N1	N5	H3	180.0°	179.9°
N1	C1	N3	N4	0.2°	0.0°
C1	N1	N5	N4	0.3°	0.0°
N1	C1	N6	H9	127.9°	180.0°
N3	C1	N6	C2	173.2°	179.7°
N3	C1	N1	N5	0.1°	0.0°
C1	N3	N4	N5	0.4°	0.0°
N3	C1	N1	H3	180.0°	180.0°
N3	C1	N6	H9	51.6°	0.4°
C1	N6	C2	H9	121.6°	180.0°
C1	N6	C2	CG	110.2°	180.0°
N6	C1	N1	N5	179.6°	179.7°
N6	C1	N3	N4	179.9°	179.7°
C1	N6	C2	H1	10.2°	60.0°
C1	N6	C2	H2	129.4°	60.0°
N6	C1	N1	H3	0.4°	0.4°
N6	C2	CG	H1	120.5°	120.0°
N6	C2	CG	H2	120.4°	120.0°
N6	C2	CG	CD1	26.3°	100.0°
N6	C2	CG	CD2	154.2°	79.7°
N6	C2	H1	H2	118.7°	120.0°
C2	CG	CD2	O1	0.2°	0.0°
C2	CG	CD1	CD2	179.5°	179.7°
C2	CG	CD1	CE1	179.8°	180.0°
C2	CG	CD2	CE2	180.0°	179.8°
CG	C2	H1	H2	118.7°	120.0°
CG	C2	N6	H9	128.2°	0.0°
C2	CG	CD1	H10	0.2°	0.1°
N1	N5	N4	N3	0.5°	0.0°
O1	C3	C4	H4	119.8°	120.0°
O1	C3	C4	H5	119.8°	120.0°
C3	O1	CD2	CG	113.6°	90.0°
C3	O1	CD2	CE2	66.6°	89.7°
O1	C3	H4	H5	120.5°	120.1°
O1	C3	C4	H6	180.0°	180.0°
O1	C3	C4	H7	60.0°	60.0°
O1	C3	C4	H8	60.0°	60.0°
C4	C3	O1	CD2	132.7°	180.0°
C4	C3	H4	H5	120.5°	120.0°
C3	C4	H6	H7	120.0°	120.0°
C3	C4	H6	H8	120.0°	120.0°
C3	C4	H7	H8	120.0°	120.0°
O1	CD2	CG	CD1	179.7°	179.7°
O1	CD2	CG	CE2	179.8°	179.7°
O1	CD2	CE2	CZ	179.9°	179.7°
O1	CD2	CE2	CL2	0.1°	0.0°
CD2	O1	C3	H4	12.8°	60.0°
CD2	O1	C3	H5	107.5°	60.1°
N4	N5	N1	H3	179.7°	179.9°
CG	CD1	CE1	H10	180.0°	180.0°
CG	CD1	CE1	CZ	0.6°	0.0°
CD1	CG	CD2	CE2	0.5°	0.6°
CG	CD1	CE1	CL1	179.9°	180.0°
CD1	CG	C2	H1	94.1°	140.0°
CD1	CG	C2	H2	146.8°	20.0°
CD2	CG	CD1	CE1	0.8°	0.3°
CG	CD2	CE2	CZ	0.1°	0.6°
CG	CD2	CE2	CL2	179.7°	179.7°
CD2	CG	C2	H1	85.3°	40.3°
CD2	CG	C2	H2	33.8°	160.3°
CD2	CG	CD1	H10	179.2°	179.7°
CD1	CE1	CZ	CL1	179.4°	180.0°
CD1	CE1	CZ	CE2	0.2°	0.0°
CD1	CE1	CZ	H11	179.8°	180.0°
CD1	CE1	CL1	H12	89.7°	90.0°
CD1	CE1	CL1	H13	150.3°	150.0°
CD1	CE1	CL1	H14	30.3°	30.0°
CE1	CZ	CE2	H11	180.0°	180.0°
CE1	CZ	CE2	CD2	0.1°	0.3°
CE1	CZ	CE2	CL2	179.9°	180.0°
CZ	CE1	CD1	H10	179.4°	180.0°
CZ	CE1	CL1	H12	89.8°	90.0°
CZ	CE1	CL1	H13	30.2°	30.0°
CZ	CE1	CL1	H14	150.2°	150.0°
CZ	CE2	CD2	CL2	179.8°	179.8°
CE2	CZ	CE1	CL1	179.6°	180.0°
CZ	CE2	CL2	H15	90.1°	90.0°
CZ	CE2	CL2	H16	149.9°	150.0°
CZ	CE2	CL2	H17	29.9°	30.0°
CD2	CE2	CZ	H11	179.9°	179.7°
CD2	CE2	CL2	H15	90.1°	89.8°
CD2	CE2	CL2	H16	29.9°	30.2°
CD2	CE2	CL2	H17	149.9°	150.2°
CL1	CE1	CD1	H10	0.1°	0.0°
CL1	CE1	CZ	H11	0.3°	0.0°
CE1	CL1	H12	H13	120.0°	120.0°
CE1	CL1	H12	H14	120.0°	120.0°
CE1	CL1	H13	H14	120.0°	120.0°
CL2	CE2	CZ	H11	0.1°	0.1°
CE2	CL2	H15	H16	120.0°	120.0°
CE2	CL2	H15	H17	120.0°	120.0°
CE2	CL2	H16	H17	120.0°	120.0°
H1	C2	N6	H9	111.4°	120.0°
H2	C2	N6	H9	7.8°	120.0°
H4	C3	C4	H6	60.1°	60.0°
H4	C3	C4	H7	179.8°	180.0°
H4	C3	C4	H8	59.9°	60.0°
H5	C3	C4	H6	60.2°	60.0°
H5	C3	C4	H7	59.8°	59.9°
H5	C3	C4	H8	179.8°	180.0°
H6	C4	H7	H8	119.9°	120.1°
H12	CL1	H13	H14	120.0°	120.0°
H15	CL2	H16	H17	120.0°	120.0°

Release date:	2013-06-05
Definition date:	2013-04-25
Last modified:	2013-05-31
Release status:	REL
Processing site:	RCSB
Derived from:	4KAC