VNB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAJ	CAG	sing	1.43Å	1.44Å
CAG	CAB	sing	1.53Å	1.52Å
CAB	CAC	sing	1.55Å	1.50Å
CAB	NAF	sing	1.48Å	1.47Å
CAC	CAD	sing	1.55Å	1.51Å
CAC	OAH	sing	1.43Å	1.45Å
NAF	CAE	sing	1.47Å	1.48Å
CAD	CAE	sing	1.54Å	1.53Å
CAD	OAI	sing	1.43Å	1.43Å
CAE	CAK	sing	1.53Å	1.53Å
CAK	NAL	sing	1.47Å	1.48Å
NAL	CAM	sing	1.47Å	1.48Å
NAL	CAA	sing	1.47Å	1.48Å
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAB	H4	sing	1.09Å	1.10Å
CAC	H5	sing	1.09Å	1.10Å
CAD	H6	sing	1.09Å	1.10Å
CAE	H7	sing	1.09Å	1.10Å
CAG	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
CAK	H10	sing	1.09Å	1.10Å
CAK	H11	sing	1.09Å	1.10Å
CAM	H12	sing	1.09Å	1.10Å
CAM	H13	sing	1.09Å	1.10Å
CAM	H14	sing	1.09Å	1.10Å
NAF	H15	sing	1.01Å	1.00Å
OAH	H18	sing	0.97Å	0.95Å
OAI	H19	sing	0.97Å	0.95Å
OAJ	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAJ	CAG	CAB	108.5°	109.5°
OAJ	CAG	H8	109.7°	109.4°
OAJ	CAG	H9	109.7°	109.5°
CAG	OAJ	H20	109.5°	114.0°
CAG	CAB	CAC	109.5°	110.4°
CAG	CAB	NAF	111.1°	110.4°
CAG	CAB	H4	110.1°	110.5°
CAB	CAG	H8	109.7°	109.5°
CAB	CAG	H9	109.7°	109.5°
CAC	CAB	NAF	105.1°	104.8°
CAB	CAC	CAD	100.8°	101.6°
CAB	CAC	OAH	107.4°	110.9°
CAC	CAB	H4	110.3°	110.3°
CAB	CAC	H5	112.3°	111.0°
CAB	NAF	CAE	107.0°	108.6°
NAF	CAB	H4	110.7°	110.4°
CAB	NAF	H15	110.1°	111.0°
CAD	CAC	OAH	110.0°	111.0°
CAC	CAD	CAE	101.4°	103.0°
CAC	CAD	OAI	110.6°	110.6°
CAD	CAC	H5	112.2°	111.0°
CAC	CAD	H6	110.6°	110.7°
OAH	CAC	H5	113.2°	110.9°
CAC	OAH	H18	109.5°	114.0°
NAF	CAE	CAD	105.0°	107.2°
NAF	CAE	CAK	108.7°	109.9°
NAF	CAE	H7	110.2°	110.1°
CAE	NAF	H15	110.1°	111.0°
CAE	CAD	OAI	111.8°	110.7°
CAD	CAE	CAK	113.7°	109.8°
CAE	CAD	H6	110.2°	110.7°
CAD	CAE	H7	109.6°	109.9°
OAI	CAD	H6	111.7°	110.8°
CAD	OAI	H19	109.5°	114.0°
CAE	CAK	NAL	113.4°	109.5°
CAK	CAE	H7	109.5°	109.9°
CAE	CAK	H10	108.5°	109.5°
CAE	CAK	H11	108.5°	109.4°
CAK	NAL	CAM	107.7°	111.0°
CAK	NAL	CAA	113.4°	111.0°
NAL	CAK	H10	108.5°	109.5°
NAL	CAK	H11	108.5°	109.5°
CAM	NAL	CAA	108.2°	111.0°
NAL	CAM	H12	109.5°	109.5°
NAL	CAM	H13	109.4°	109.4°
NAL	CAM	H14	109.5°	109.5°
NAL	CAA	H1	109.5°	109.5°
NAL	CAA	H2	109.5°	109.5°
NAL	CAA	H3	109.5°	109.4°
H1	CAA	H2	109.4°	109.5°
H1	CAA	H3	109.5°	109.4°
H2	CAA	H3	109.5°	109.5°
H8	CAG	H9	109.5°	109.4°
H10	CAK	H11	109.5°	109.5°
H12	CAM	H13	109.5°	109.4°
H12	CAM	H14	109.5°	109.5°
H13	CAM	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAJ	CAG	CAB	H8	119.9°	120.0°
OAJ	CAG	CAB	H9	119.8°	120.0°
OAJ	CAG	CAB	CAC	174.5°	175.0°
OAJ	CAG	CAB	NAF	69.8°	69.6°
OAJ	CAG	CAB	H4	53.1°	52.7°
OAJ	CAG	H8	H9	120.4°	120.0°
CAG	CAB	CAC	NAF	119.4°	118.8°
CAG	CAB	CAC	H4	121.3°	122.4°
CAG	CAB	NAF	H4	122.6°	122.4°
CAG	CAB	CAC	CAD	159.9°	155.9°
CAG	CAB	CAC	OAH	44.7°	37.8°
CAG	CAB	NAF	CAE	138.4°	142.9°
CAG	CAB	CAC	H5	80.4°	86.0°
CAB	CAG	H8	H9	120.4°	120.0°
CAG	CAB	NAF	H15	102.0°	94.9°
CAB	CAG	OAJ	H20	180.0°	180.0°
CAC	CAB	NAF	H4	119.1°	118.8°
CAB	CAC	CAD	OAH	113.2°	118.0°
CAB	CAC	CAD	H5	119.7°	118.1°
CAB	CAC	OAH	H5	124.6°	123.8°
CAC	CAB	NAF	CAE	20.1°	24.1°
CAB	CAC	CAD	CAE	44.5°	35.7°
CAB	CAC	CAD	OAI	163.3°	154.0°
CAB	CAC	CAD	H6	72.4°	82.8°
CAC	CAB	CAG	H8	65.6°	55.0°
CAC	CAB	CAG	H9	54.7°	65.0°
CAC	CAB	NAF	H15	139.7°	146.3°
CAB	CAC	OAH	H18	180.0°	180.0°
NAF	CAB	CAC	CAD	40.5°	37.1°
NAF	CAB	CAC	OAH	74.7°	81.0°
CAB	NAF	CAE	H15	119.6°	122.3°
CAB	NAF	CAE	CAD	8.2°	1.0°
CAB	NAF	CAE	CAK	130.3°	118.4°
NAF	CAB	CAC	H5	160.2°	155.2°
CAB	NAF	CAE	H7	109.7°	120.5°
NAF	CAB	CAG	H8	50.0°	170.4°
NAF	CAB	CAG	H9	170.3°	50.4°
CAD	CAC	OAH	H5	126.5°	123.9°
CAC	CAD	CAE	NAF	33.0°	22.3°
CAC	CAD	CAE	OAI	117.9°	118.3°
CAC	CAD	CAE	H6	117.1°	118.4°
CAC	CAD	OAI	H6	123.6°	123.2°
CAC	CAD	CAE	CAK	151.7°	141.7°
CAD	CAC	CAB	H4	78.8°	81.7°
CAC	CAD	CAE	H7	85.3°	97.3°
CAD	CAC	OAH	H18	71.1°	67.8°
CAC	CAD	OAI	H19	180.0°	61.5°
OAH	CAC	CAD	CAE	68.8°	82.4°
OAH	CAC	CAD	OAI	50.0°	36.0°
OAH	CAC	CAB	H4	166.0°	160.2°
OAH	CAC	CAD	H6	174.4°	159.2°
NAF	CAE	CAD	CAK	118.7°	119.4°
NAF	CAE	CAD	H7	118.3°	119.6°
NAF	CAE	CAD	OAI	150.9°	140.6°
NAF	CAE	CAK	H7	120.5°	121.3°
NAF	CAE	CAK	NAL	171.3°	58.2°
CAE	NAF	CAB	H4	99.0°	94.7°
NAF	CAE	CAD	H6	84.2°	96.1°
NAF	CAE	CAK	H10	68.2°	178.3°
NAF	CAE	CAK	H11	50.7°	61.8°
CAE	CAD	OAI	H6	124.1°	123.3°
CAD	CAE	CAK	H7	123.0°	121.0°
CAD	CAE	CAK	NAL	72.2°	176.0°
CAE	CAD	CAC	H5	164.2°	153.7°
CAD	CAE	CAK	H10	48.4°	64.0°
CAD	CAE	CAK	H11	167.2°	56.0°
CAD	CAE	NAF	H15	111.4°	123.2°
CAE	CAD	OAI	H19	67.7°	175.0°
OAI	CAD	CAE	CAK	90.3°	100.0°
OAI	CAD	CAC	H5	77.0°	87.9°
OAI	CAD	CAE	H7	32.6°	21.0°
CAE	CAK	NAL	H10	120.6°	120.0°
CAE	CAK	NAL	H11	120.6°	120.0°
CAE	CAK	NAL	CAM	171.8°	75.6°
CAE	CAK	NAL	CAA	52.2°	160.4°
CAK	CAE	CAD	H6	34.6°	23.3°
CAE	CAK	H10	H11	118.2°	120.0°
CAK	CAE	NAF	H15	10.7°	3.8°
CAK	NAL	CAM	CAA	123.0°	124.0°
CAK	NAL	CAA	H1	180.0°	55.2°
CAK	NAL	CAA	H2	60.0°	175.3°
CAK	NAL	CAA	H3	60.0°	64.7°
NAL	CAK	CAE	H7	50.8°	63.0°
NAL	CAK	H10	H11	118.2°	120.0°
CAK	NAL	CAM	H12	180.0°	60.1°
CAK	NAL	CAM	H13	60.0°	180.0°
CAK	NAL	CAM	H14	60.0°	60.0°
CAM	NAL	CAA	H1	60.6°	179.2°
CAM	NAL	CAA	H2	59.4°	60.7°
CAM	NAL	CAA	H3	179.4°	59.3°
CAM	NAL	CAK	H10	67.6°	44.4°
CAM	NAL	CAK	H11	51.2°	164.5°
NAL	CAM	H12	H13	120.0°	119.9°
NAL	CAM	H12	H14	120.0°	120.1°
NAL	CAM	H13	H14	120.0°	120.0°
NAL	CAA	H1	H2	120.0°	120.1°
NAL	CAA	H1	H3	120.1°	119.9°
NAL	CAA	H2	H3	120.0°	120.0°
CAA	NAL	CAK	H10	172.7°	79.6°
CAA	NAL	CAK	H11	68.4°	40.4°
CAA	NAL	CAM	H12	57.0°	63.9°
CAA	NAL	CAM	H13	177.0°	56.0°
CAA	NAL	CAM	H14	63.0°	176.0°
H1	CAA	H2	H3	120.0°	120.0°
H4	CAB	CAC	H5	40.8°	36.4°
H4	CAB	CAG	H8	173.0°	67.3°
H4	CAB	CAG	H9	66.7°	172.7°
H4	CAB	NAF	H15	20.6°	27.5°
H5	CAC	CAD	H6	47.3°	35.3°
H5	CAC	OAH	H18	55.4°	56.2°
H6	CAD	CAE	H7	157.5°	144.3°
H6	CAD	OAI	H19	56.4°	61.7°
H7	CAE	CAK	H10	171.4°	57.0°
H7	CAE	CAK	H11	69.8°	177.0°
H7	CAE	NAF	H15	130.7°	117.3°
H8	CAG	OAJ	H20	60.1°	59.9°
H9	CAG	OAJ	H20	60.2°	60.0°
H12	CAM	H13	H14	120.0°	120.0°

Release date:	2024-04-10
Definition date:	2023-08-01
Last modified:	2024-04-05
Release status:	REL
Processing site:	PDBJ
Derived from:	8K7J