V4A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	0.00Å	1.39Å	Aromatic
C1	N4	sing	0.00Å	1.32Å	Aromatic
C2	C3	sing	0.00Å	1.39Å	Aromatic
C3	C4	doub	0.00Å	1.40Å	Aromatic
C4	C5	sing	0.00Å	1.39Å	Aromatic
C5	C6	sing	0.00Å	1.52Å
C5	N4	doub	0.00Å	1.31Å	Aromatic
C6	N1	sing	0.00Å	1.40Å	Aromatic
C6	N3	doub	0.00Å	1.27Å	Aromatic
C7	C11	sing	0.00Å	1.43Å	Aromatic
C7	N1	sing	0.00Å	1.34Å	Aromatic
C7	N2	doub	0.00Å	1.34Å	Aromatic
C8	C9	doub	0.00Å	1.41Å	Aromatic
C8	N1	sing	0.00Å	1.36Å	Aromatic
C9	C10	sing	0.00Å	1.42Å	Aromatic
C10	C11	doub	0.00Å	1.41Å	Aromatic
N2	N3	sing	0.00Å	1.31Å	Aromatic
N3	PT	sing	0.00Å	24.53Å
CAA	CAB	doub	0.00Å	1.39Å	Aromatic
CAA	NBD	sing	0.00Å	1.32Å	Aromatic
PT	NAJ	sing	0.00Å	27.42Å
PT	NBD	sing	0.00Å	26.06Å
CAB	CAC	sing	0.00Å	1.39Å	Aromatic
CAC	CAD	doub	0.00Å	1.40Å	Aromatic
CAD	CAE	sing	0.00Å	1.39Å	Aromatic
CAE	CAF	sing	0.00Å	1.51Å
CAE	NBD	doub	0.00Å	1.31Å	Aromatic
CAF	NAG	sing	0.00Å	1.39Å	Aromatic
CAF	NAJ	doub	0.00Å	1.28Å	Aromatic
CAH	CAN	sing	0.00Å	1.42Å	Aromatic
CAH	NAG	sing	0.00Å	1.33Å	Aromatic
CAH	NAI	doub	0.00Å	1.35Å	Aromatic
CAK	CAL	doub	0.00Å	1.40Å	Aromatic
CAK	NAG	sing	0.00Å	1.36Å	Aromatic
CAL	CAM	sing	0.00Å	1.42Å	Aromatic
CAM	CAN	doub	0.00Å	1.40Å	Aromatic
NAI	NAJ	sing	0.00Å	1.31Å	Aromatic
C1	H1	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C4	H4	sing	0.00Å	1.08Å
C8	H5	sing	0.00Å	1.08Å
C9	H6	sing	0.00Å	1.08Å
C10	H7	sing	0.00Å	1.08Å
C11	H8	sing	0.00Å	1.08Å
CAA	H9	sing	0.00Å	1.08Å
CAB	H10	sing	0.00Å	1.08Å
CAC	H11	sing	0.00Å	1.08Å
CAD	H12	sing	0.00Å	1.08Å
CAK	H13	sing	0.00Å	1.08Å
CAL	H14	sing	0.00Å	1.08Å
CAM	H15	sing	0.00Å	1.08Å
CAN	H16	sing	0.00Å	1.08Å
N4	PT	sing	0.00Å	25.94Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N4	122.4°	90.0°
C1	C2	C3	118.1°	90.0°
C2	C1	H1	118.8°	90.0°
C1	C2	H2	121.0°	90.0°
C1	N4	C5	120.6°	90.0°
N4	C1	H1	118.8°	90.0°
C1	N4	PT	124.4°	90.0°
C2	C3	C4	118.4°	90.0°
C3	C2	H2	121.0°	90.0°
C2	C3	H3	120.8°	90.0°
C3	C4	C5	119.2°	90.0°
C4	C3	H3	120.8°	90.0°
C3	C4	H4	120.4°	90.0°
C4	C5	C6	121.4°	90.0°
C4	C5	N4	121.3°	90.0°
C5	C4	H4	120.4°	90.0°
C6	C5	N4	117.2°	90.0°
C5	C6	N1	131.9°	90.0°
C5	C6	N3	122.1°	90.0°
C5	N4	PT	23.5°	90.0°
N1	C6	N3	106.0°	90.0°
C6	N1	C7	107.3°	90.0°
C6	N1	C8	133.9°	90.0°
C6	N3	N2	111.6°	90.0°
C6	N3	PT	62.9°	90.0°
C11	C7	N1	124.0°	90.0°
C11	C7	N2	129.6°	90.0°
C7	C11	C10	117.9°	90.0°
C7	C11	H8	121.0°	90.0°
N1	C7	N2	106.4°	90.0°
C7	N1	C8	118.7°	90.0°
C7	N2	N3	108.6°	90.0°
C9	C8	N1	121.2°	90.0°
C8	C9	C10	120.6°	90.0°
C9	C8	H5	119.4°	90.0°
C8	C9	H6	119.7°	90.0°
N1	C8	H5	119.4°	90.0°
C9	C10	C11	117.5°	90.0°
C10	C9	H6	119.7°	90.0°
C9	C10	H7	121.2°	90.0°
C11	C10	H7	121.3°	90.0°
C10	C11	H8	121.1°	90.0°
N2	N3	PT	53.7°	90.0°
N3	PT	NAJ	2.8°	90.0°
N3	PT	NBD	4.9°	90.0°
N3	PT	N4	5.5°	90.0°
CAB	CAA	NBD	122.1°	90.0°
CAA	CAB	CAC	117.5°	90.0°
CAB	CAA	H9	119.0°	90.0°
CAA	CAB	H10	121.2°	90.0°
CAA	NBD	PT	63.8°	90.0°
CAA	NBD	CAE	121.6°	90.0°
NBD	CAA	H9	118.9°	90.0°
NAJ	PT	NBD	5.4°	90.0°
PT	NAJ	CAF	109.7°	90.0°
PT	NAJ	NAI	126.3°	90.0°
NAJ	PT	N4	4.7°	90.0°
PT	NBD	CAE	156.4°	90.0°
NBD	PT	N4	9.8°	90.0°
CAB	CAC	CAD	118.8°	90.0°
CAC	CAB	H10	121.3°	90.0°
CAB	CAC	H11	120.6°	90.0°
CAC	CAD	CAE	119.0°	90.0°
CAD	CAC	H11	120.6°	90.0°
CAC	CAD	H12	120.5°	90.0°
CAD	CAE	CAF	120.9°	90.0°
CAD	CAE	NBD	120.9°	90.0°
CAE	CAD	H12	120.5°	90.0°
CAF	CAE	NBD	118.1°	90.0°
CAE	CAF	NAG	129.0°	90.0°
CAE	CAF	NAJ	123.9°	90.0°
NAG	CAF	NAJ	106.9°	90.0°
CAF	NAG	CAH	107.0°	90.0°
CAF	NAG	CAK	133.6°	90.0°
CAF	NAJ	NAI	110.8°	90.0°
CAN	CAH	NAG	123.0°	90.0°
CAN	CAH	NAI	129.7°	90.0°
CAH	CAN	CAM	118.4°	90.0°
CAH	CAN	H16	120.8°	90.0°
NAG	CAH	NAI	107.3°	90.0°
CAH	NAG	CAK	119.4°	90.0°
CAH	NAI	NAJ	108.0°	90.0°
CAL	CAK	NAG	121.5°	90.0°
CAK	CAL	CAM	119.9°	90.0°
CAL	CAK	H13	119.3°	90.0°
CAK	CAL	H14	120.1°	90.0°
NAG	CAK	H13	119.3°	90.0°
CAL	CAM	CAN	117.8°	90.0°
CAM	CAL	H14	120.0°	90.0°
CAL	CAM	H15	121.1°	90.0°
CAN	CAM	H15	121.1°	90.0°
CAM	CAN	H16	120.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N4	H1	180.0°	90.0°
C1	C2	C3	H2	180.0°	90.0°
C1	C2	C3	C4	0.3°	90.0°
C2	C1	N4	C5	0.7°	90.0°
C1	C2	C3	H3	179.8°	90.0°
C2	C1	N4	PT	26.9°	90.0°
N4	C1	C2	C3	0.0°	90.0°
C1	N4	C5	C4	1.7°	90.0°
C1	N4	C5	C6	178.9°	90.0°
C1	N4	C5	PT	106.5°	90.0°
C1	N4	PT	N3	179.1°	90.0°
C1	N4	PT	NAJ	147.8°	90.0°
C1	N4	PT	NBD	160.8°	90.0°
N4	C1	C2	H2	180.0°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C2	C3	C4	C5	1.1°	90.0°
C3	C2	C1	H1	179.9°	90.0°
C2	C3	C4	H4	178.8°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C6	179.0°	90.0°
C3	C4	C5	N4	1.9°	90.0°
C4	C3	C2	H2	179.7°	90.0°
C4	C5	C6	N4	177.2°	90.0°
C4	C5	C6	N1	2.3°	90.0°
C4	C5	C6	N3	179.6°	90.0°
C5	C4	C3	H3	178.9°	90.0°
C4	C5	N4	PT	104.9°	90.0°
C5	C6	N1	N3	177.7°	90.0°
C5	C6	N1	C7	178.1°	90.0°
C5	C6	N1	C8	1.5°	90.0°
C5	C6	N3	N2	178.7°	90.0°
C5	C6	N3	PT	155.4°	90.0°
C6	C5	C4	H4	1.0°	90.0°
C6	C5	N4	PT	72.4°	90.0°
N4	C5	C6	N1	175.0°	90.0°
N4	C5	C6	N3	2.4°	90.0°
C5	N4	PT	N3	92.4°	90.0°
C5	N4	PT	NAJ	123.6°	90.0°
C5	N4	PT	NBD	110.6°	90.0°
C5	N4	C1	H1	179.3°	90.0°
N4	C5	C4	H4	178.1°	90.0°
C6	N1	C7	C11	180.0°	90.0°
C6	N1	C7	C8	179.7°	90.0°
C6	N1	C7	N2	0.0°	90.0°
C6	N1	C8	C9	179.8°	90.0°
N1	C6	N3	N2	0.7°	90.0°
N1	C6	N3	PT	22.6°	90.0°
C6	N1	C8	H5	0.2°	90.0°
N3	C6	N1	C7	0.4°	90.0°
C6	N3	N2	C7	0.8°	90.0°
N3	C6	N1	C8	179.2°	90.0°
C6	N3	N2	PT	25.9°	90.0°
C6	N3	PT	NAJ	83.8°	90.0°
C6	N3	PT	NBD	166.5°	90.0°
C6	N3	PT	N4	25.1°	90.0°
C11	C7	N1	N2	180.0°	90.0°
C11	C7	N1	C8	0.3°	90.0°
C7	C11	C10	C9	0.2°	90.0°
C7	C11	C10	H8	180.0°	90.0°
C11	C7	N2	N3	179.6°	90.0°
C7	C11	C10	H7	179.8°	90.0°
C7	N1	C8	C9	0.3°	90.0°
N1	C7	C11	C10	0.1°	90.0°
N1	C7	N2	N3	0.5°	90.0°
C7	N1	C8	H5	179.7°	90.0°
N1	C7	C11	H8	179.9°	90.0°
N2	C7	N1	C8	179.7°	90.0°
N2	C7	C11	C10	179.9°	90.0°
C7	N2	N3	PT	25.1°	90.0°
N2	C7	C11	H8	0.0°	90.0°
C9	C8	N1	H5	180.0°	90.0°
C8	C9	C10	H6	180.0°	90.0°
C8	C9	C10	C11	0.3°	90.0°
C8	C9	C10	H7	179.7°	90.0°
N1	C8	C9	C10	0.0°	90.0°
N1	C8	C9	H6	180.0°	90.0°
C9	C10	C11	H7	180.0°	90.0°
C10	C9	C8	H5	180.0°	90.0°
C9	C10	C11	H8	179.8°	90.0°
C11	C10	C9	H6	179.7°	90.0°
N2	N3	PT	NAJ	123.4°	90.0°
N2	N3	PT	NBD	40.6°	90.0°
N2	N3	PT	N4	177.9°	90.0°
N3	PT	NBD	CAA	145.3°	90.0°
N3	PT	NAJ	NBD	65.7°	90.0°
N3	PT	NAJ	N4	90.1°	90.0°
N3	PT	NBD	N4	20.4°	90.0°
N3	PT	NBD	CAE	105.3°	90.0°
N3	PT	NAJ	CAF	93.6°	90.0°
N3	PT	NAJ	NAI	129.3°	90.0°
CAB	CAA	NBD	H9	180.0°	90.0°
CAB	CAA	NBD	PT	153.4°	90.0°
CAA	CAB	CAC	H10	180.0°	90.0°
CAA	CAB	CAC	CAD	0.0°	90.0°
CAB	CAA	NBD	CAE	0.3°	90.0°
CAA	CAB	CAC	H11	180.0°	90.0°
CAA	NBD	PT	NAJ	177.0°	90.0°
CAA	NBD	PT	CAE	109.4°	90.0°
NBD	CAA	CAB	CAC	0.7°	90.0°
CAA	NBD	CAE	CAD	2.2°	90.0°
CAA	NBD	CAE	CAF	178.3°	90.0°
NBD	CAA	CAB	H10	179.2°	90.0°
CAA	NBD	PT	N4	165.7°	90.0°
NAJ	PT	NBD	N4	11.3°	90.0°
PT	NAJ	CAF	CAE	33.1°	90.0°
NAJ	PT	NBD	CAE	73.6°	90.0°
PT	NAJ	CAF	NAG	143.5°	90.0°
PT	NAJ	CAF	NAI	144.0°	90.0°
PT	NAJ	NAI	CAH	136.5°	90.0°
PT	NBD	CAE	CAD	94.3°	90.0°
PT	NBD	CAE	CAF	81.8°	90.0°
NBD	PT	NAJ	CAF	28.0°	90.0°
NBD	PT	NAJ	NAI	165.0°	90.0°
PT	NBD	CAA	H9	26.6°	90.0°
CAB	CAC	CAD	H11	180.0°	90.0°
CAB	CAC	CAD	CAE	1.7°	90.0°
CAC	CAB	CAA	H9	179.3°	90.0°
CAB	CAC	CAD	H12	178.2°	90.0°
CAC	CAD	CAE	H12	180.0°	90.0°
CAC	CAD	CAE	CAF	178.9°	90.0°
CAC	CAD	CAE	NBD	2.9°	90.0°
CAD	CAC	CAB	H10	180.0°	90.0°
CAD	CAE	CAF	NBD	176.1°	90.0°
CAD	CAE	CAF	NAG	10.2°	90.0°
CAD	CAE	CAF	NAJ	174.0°	90.0°
CAE	CAD	CAC	H11	178.3°	90.0°
CAE	CAF	NAG	NAJ	176.4°	90.0°
CAE	CAF	NAG	CAH	177.1°	90.0°
CAE	CAF	NAG	CAK	3.5°	90.0°
CAE	CAF	NAJ	NAI	177.2°	90.0°
CAF	CAE	CAD	H12	1.1°	90.0°
NBD	CAE	CAF	NAG	166.0°	90.0°
NBD	CAE	CAF	NAJ	9.9°	90.0°
CAE	NBD	CAA	H9	179.6°	90.0°
NBD	CAE	CAD	H12	177.1°	90.0°
CAE	NBD	PT	N4	84.9°	90.0°
CAF	NAG	CAH	CAN	178.9°	90.0°
CAF	NAG	CAH	CAK	179.5°	90.0°
CAF	NAG	CAH	NAI	0.6°	90.0°
CAF	NAG	CAK	CAL	179.1°	90.0°
NAG	CAF	NAJ	NAI	0.5°	90.0°
CAF	NAG	CAK	H13	1.0°	90.0°
NAJ	CAF	NAG	CAH	0.7°	90.0°
CAF	NAJ	NAI	CAH	0.2°	90.0°
NAJ	CAF	NAG	CAK	179.9°	90.0°
CAF	NAJ	PT	N4	176.3°	90.0°
CAN	CAH	NAG	NAI	179.5°	90.0°
CAN	CAH	NAG	CAK	0.6°	90.0°
CAH	CAN	CAM	CAL	0.3°	90.0°
CAH	CAN	CAM	H16	180.0°	90.0°
CAN	CAH	NAI	NAJ	179.2°	90.0°
CAH	CAN	CAM	H15	179.6°	90.0°
CAH	NAG	CAK	CAL	0.3°	90.0°
NAG	CAH	CAN	CAM	0.6°	90.0°
NAG	CAH	NAI	NAJ	0.3°	90.0°
CAH	NAG	CAK	H13	179.7°	90.0°
NAG	CAH	CAN	H16	179.4°	90.0°
NAI	CAH	NAG	CAK	179.9°	90.0°
NAI	CAH	CAN	CAM	180.0°	90.0°
NAI	CAH	CAN	H16	0.0°	90.0°
CAL	CAK	NAG	H13	180.0°	90.0°
CAK	CAL	CAM	H14	180.0°	90.0°
CAK	CAL	CAM	CAN	0.1°	90.0°
CAK	CAL	CAM	H15	179.9°	90.0°
NAG	CAK	CAL	CAM	0.1°	90.0°
NAG	CAK	CAL	H14	180.0°	90.0°
CAL	CAM	CAN	H15	180.0°	90.0°
CAM	CAL	CAK	H13	179.9°	90.0°
CAL	CAM	CAN	H16	179.7°	90.0°
CAN	CAM	CAL	H14	179.9°	90.0°
NAI	NAJ	PT	N4	39.2°	90.0°
H1	C1	C2	H2	0.0°	90.0°
H1	C1	N4	PT	153.1°	90.0°
H2	C2	C3	H3	0.2°	90.0°
H3	C3	C4	H4	1.1°	90.0°
H5	C8	C9	H6	0.0°	90.0°
H6	C9	C10	H7	0.3°	90.0°
H7	C10	C11	H8	0.3°	90.0°
H9	CAA	CAB	H10	0.8°	90.0°
H10	CAB	CAC	H11	0.0°	90.0°
H11	CAC	CAD	H12	1.7°	90.0°
H13	CAK	CAL	H14	0.1°	90.0°
H14	CAL	CAM	H15	0.1°	90.0°
H15	CAM	CAN	H16	0.3°	90.0°

Release date:	2020-11-04
Definition date:	2020-06-24
Last modified:	2020-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	6XCL