PRD_900109

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAT	CAO	sing	1.43Å	1.42Å
CAU	OAV	sing	1.43Å	1.43Å
CAU	CAN	sing	1.53Å	1.52Å
OAR	CAQ	sing	1.43Å	1.44Å
CAO	CAN	sing	1.53Å	1.53Å
CAO	CAP	sing	1.53Å	1.53Å
OAM	CAN	sing	1.43Å	1.43Å
OAM	CAL	sing	1.43Å	1.44Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.51Å
SAW	CAL	sing	1.81Å	1.78Å
SAW	C1	sing	1.81Å	1.77Å
OAS	CAP	sing	1.43Å	1.43Å
O3	C3	sing	1.43Å	1.44Å
CAQ	CAL	sing	1.53Å	1.53Å
CAQ	CAP	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.42Å
O5	C5	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.53Å
C6	O6	sing	1.43Å	1.43Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
O2	H5	sing	0.97Å	0.95Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
O4	H9	sing	0.97Å	0.95Å
O6	H10	sing	0.97Å	0.95Å
C1	H11	sing	1.09Å	1.10Å
CAL	H12	sing	1.09Å	1.10Å
CAN	H13	sing	1.09Å	1.10Å
CAU	H14	sing	1.09Å	1.10Å
CAU	H15	sing	1.09Å	1.10Å
OAV	H16	sing	0.97Å	0.95Å
CAO	H17	sing	1.09Å	1.10Å
OAT	H18	sing	0.97Å	0.95Å
CAP	H19	sing	1.09Å	1.10Å
OAS	H20	sing	0.97Å	0.95Å
CAQ	H21	sing	1.09Å	1.10Å
OAR	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAT	CAO	CAN	109.8°	109.5°
OAT	CAO	CAP	110.3°	109.5°
OAT	CAO	H17	110.2°	109.6°
CAO	OAT	H18	109.5°	114.0°
OAV	CAU	CAN	109.4°	109.5°
OAV	CAU	H14	109.5°	109.5°
OAV	CAU	H15	109.4°	109.5°
CAU	OAV	H16	109.5°	114.0°
CAU	CAN	CAO	111.4°	109.5°
CAU	CAN	OAM	107.1°	109.5°
CAU	CAN	H13	109.2°	109.5°
CAN	CAU	H14	109.5°	109.5°
CAN	CAU	H15	109.5°	109.4°
OAR	CAQ	CAL	109.8°	109.6°
OAR	CAQ	CAP	111.3°	109.5°
OAR	CAQ	H21	109.5°	109.6°
CAQ	OAR	H22	109.5°	114.0°
CAN	CAO	CAP	108.9°	109.1°
CAO	CAN	OAM	109.6°	109.4°
CAO	CAN	H13	109.1°	109.4°
CAN	CAO	H17	108.8°	109.6°
CAO	CAP	OAS	110.1°	109.5°
CAO	CAP	CAQ	110.6°	109.0°
CAP	CAO	H17	108.7°	109.5°
CAO	CAP	H19	108.1°	109.5°
CAN	OAM	CAL	110.8°	114.1°
OAM	CAN	H13	110.4°	109.5°
OAM	CAL	SAW	109.7°	109.5°
OAM	CAL	CAQ	112.4°	109.4°
OAM	CAL	H12	110.0°	109.5°
O2	C2	C3	110.2°	109.5°
O2	C2	C1	109.0°	109.5°
C2	O2	H5	109.5°	114.0°
O2	C2	H6	110.0°	109.6°
C3	C2	C1	109.8°	109.1°
C2	C3	O3	110.0°	109.6°
C2	C3	C4	110.1°	109.0°
C3	C2	H6	108.8°	109.5°
C2	C3	H7	108.6°	109.5°
C2	C1	SAW	107.2°	109.5°
C2	C1	O5	109.5°	109.4°
C1	C2	H6	109.0°	109.5°
C2	C1	H11	111.4°	109.5°
CAL	SAW	C1	101.2°	103.0°
SAW	CAL	CAQ	109.6°	109.5°
SAW	CAL	H12	106.1°	109.5°
SAW	C1	O5	107.3°	109.5°
SAW	C1	H11	108.2°	109.5°
OAS	CAP	CAQ	110.3°	109.6°
OAS	CAP	H19	109.5°	109.5°
CAP	OAS	H20	109.5°	114.0°
O3	C3	C4	110.1°	109.6°
O3	C3	H7	109.6°	109.6°
C3	O3	H8	109.5°	114.0°
CAL	CAQ	CAP	109.6°	109.1°
CAQ	CAL	H12	108.7°	109.5°
CAL	CAQ	H21	108.3°	109.5°
CAQ	CAP	H19	108.2°	109.6°
CAP	CAQ	H21	108.3°	109.5°
C3	C4	C5	110.3°	109.1°
C3	C4	O4	110.1°	109.5°
C3	C4	H1	108.4°	109.6°
C4	C3	H7	108.5°	109.5°
C1	O5	C5	109.1°	114.1°
O5	C1	H11	112.9°	109.5°
O5	C5	C4	110.8°	109.4°
O5	C5	C6	109.0°	109.5°
O5	C5	H2	109.9°	109.5°
C5	C4	O4	110.1°	109.5°
C4	C5	C6	109.7°	109.4°
C5	C4	H1	108.4°	109.6°
C4	C5	H2	108.7°	109.5°
O4	C4	H1	109.6°	109.5°
C4	O4	H9	109.5°	114.0°
C5	C6	O6	108.7°	109.5°
C6	C5	H2	108.8°	109.5°
C5	C6	H3	109.7°	109.5°
C5	C6	H4	109.7°	109.5°
O6	C6	H3	109.7°	109.4°
O6	C6	H4	109.6°	109.5°
C6	O6	H10	109.5°	114.0°
H3	C6	H4	109.5°	109.5°
H14	CAU	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAT	CAO	CAN	CAU	58.8°	57.8°
OAT	CAO	CAN	CAP	120.9°	119.9°
OAT	CAO	CAN	H17	120.7°	120.3°
OAT	CAO	CAP	H17	121.0°	120.2°
OAT	CAO	CAN	OAM	59.6°	62.3°
OAT	CAO	CAP	OAS	57.1°	57.0°
OAT	CAO	CAP	CAQ	65.1°	62.9°
OAT	CAO	CAN	H13	179.4°	177.7°
OAT	CAO	CAP	H19	176.7°	177.2°
OAV	CAU	CAN	H14	120.0°	120.0°
OAV	CAU	CAN	H15	120.0°	120.0°
OAV	CAU	CAN	CAO	174.9°	175.0°
OAV	CAU	CAN	OAM	65.3°	65.0°
OAV	CAU	CAN	H13	54.3°	55.1°
OAV	CAU	H14	H15	120.0°	120.0°
CAU	CAN	CAO	OAM	118.4°	120.0°
CAU	CAN	CAO	H13	120.6°	120.0°
CAU	CAN	CAO	CAP	179.6°	177.6°
CAU	CAN	OAM	H13	118.8°	120.0°
CAU	CAN	OAM	CAL	175.2°	178.8°
CAN	CAU	H14	H15	120.0°	119.9°
CAN	CAU	OAV	H16	180.0°	179.9°
CAU	CAN	CAO	H17	62.0°	62.5°
OAR	CAQ	CAP	CAO	70.3°	63.0°
OAR	CAQ	CAL	OAM	69.0°	62.3°
OAR	CAQ	CAL	SAW	53.4°	57.7°
OAR	CAQ	CAP	OAS	51.8°	56.9°
OAR	CAQ	CAL	CAP	122.5°	119.9°
OAR	CAQ	CAL	H21	119.5°	120.2°
OAR	CAQ	CAP	H21	120.5°	120.2°
OAR	CAQ	CAL	H12	168.9°	177.7°
OAR	CAQ	CAP	H19	171.5°	177.2°
CAN	CAO	CAP	H17	118.4°	119.9°
CAO	CAN	OAM	H13	120.2°	120.0°
CAO	CAN	OAM	CAL	63.8°	61.2°
CAN	CAO	CAP	OAS	177.8°	176.9°
CAN	CAO	CAP	CAQ	55.6°	57.0°
CAO	CAN	CAU	H14	65.1°	55.0°
CAO	CAN	CAU	H15	54.9°	65.0°
CAN	CAO	OAT	H18	180.0°	180.0°
CAN	CAO	CAP	H19	62.7°	62.9°
CAP	CAO	CAN	OAM	61.3°	57.6°
CAO	CAP	OAS	CAQ	122.3°	119.6°
CAO	CAP	OAS	H19	118.7°	120.1°
CAO	CAP	CAQ	CAL	51.3°	57.0°
CAO	CAP	CAQ	H19	118.2°	119.8°
CAP	CAO	CAN	H13	59.7°	62.4°
CAP	CAO	OAT	H18	59.9°	60.3°
CAO	CAP	OAS	H20	180.0°	180.0°
CAO	CAP	CAQ	H21	169.3°	176.8°
CAN	OAM	CAL	SAW	177.3°	178.8°
CAN	OAM	CAL	CAQ	60.4°	61.2°
CAN	OAM	CAL	H12	60.9°	58.8°
OAM	CAN	CAU	H14	54.7°	175.0°
OAM	CAN	CAU	H15	174.8°	55.0°
OAM	CAN	CAO	H17	179.7°	177.5°
OAM	CAL	SAW	CAQ	124.0°	119.9°
OAM	CAL	SAW	H12	118.8°	120.0°
OAM	CAL	SAW	C1	68.2°	65.1°
OAM	CAL	CAQ	H12	122.1°	120.0°
OAM	CAL	CAQ	CAP	53.5°	57.6°
CAL	OAM	CAN	H13	56.5°	58.8°
OAM	CAL	CAQ	H21	171.5°	177.5°
O2	C2	C3	C1	120.1°	119.9°
O2	C2	C3	H6	120.7°	120.2°
O2	C2	C1	H6	120.0°	120.2°
O2	C2	C1	SAW	56.8°	57.7°
O2	C2	C3	O3	54.1°	57.0°
O2	C2	C3	C4	67.3°	62.9°
O2	C2	C1	O5	59.4°	62.3°
O2	C2	C3	H7	174.0°	177.2°
O2	C2	C1	H11	175.0°	177.7°
C3	C2	C1	H6	119.1°	119.9°
C3	C2	C1	SAW	177.6°	177.6°
C2	C3	O3	C4	121.4°	119.6°
C2	C3	O3	H7	119.3°	120.2°
C2	C3	C4	H7	118.7°	119.8°
C3	C2	C1	O5	61.5°	57.6°
C2	C3	C4	C5	49.9°	56.9°
C2	C3	C4	O4	71.8°	62.9°
C2	C3	C4	H1	168.4°	176.9°
C3	C2	O2	H5	180.0°	180.0°
C2	C3	O3	H8	180.0°	60.0°
C3	C2	C1	H11	64.2°	62.4°
C2	C1	SAW	CAL	163.8°	175.0°
C2	C1	SAW	O5	117.6°	119.9°
C2	C1	SAW	H11	120.3°	120.1°
C1	C2	C3	O3	174.2°	176.9°
C1	C2	C3	C4	52.8°	57.0°
C2	C1	O5	H11	124.8°	120.0°
C2	C1	O5	C5	66.7°	61.2°
C1	C2	O2	H5	59.4°	60.3°
C1	C2	C3	H7	65.9°	62.8°
SAW	CAL	CAQ	H12	115.6°	120.0°
SAW	CAL	CAQ	CAP	175.9°	177.6°
CAL	SAW	C1	O5	78.6°	65.1°
CAL	SAW	C1	H11	43.5°	55.0°
SAW	CAL	CAQ	H21	66.1°	62.6°
C1	SAW	CAL	CAQ	167.8°	175.0°
SAW	C1	O5	H11	119.1°	120.0°
SAW	C1	O5	C5	177.2°	178.8°
SAW	C1	C2	H6	63.3°	62.5°
C1	SAW	CAL	H12	50.6°	55.0°
OAS	CAP	CAQ	CAL	173.3°	176.9°
OAS	CAP	CAQ	H19	119.7°	120.2°
OAS	CAP	CAO	H17	63.8°	63.1°
OAS	CAP	CAQ	H21	68.7°	63.2°
O3	C3	C4	H7	120.0°	120.3°
O3	C3	C4	C5	171.2°	176.8°
O3	C3	C4	O4	49.6°	57.0°
O3	C3	C4	H1	70.2°	63.2°
O3	C3	C2	H6	66.6°	63.2°
CAL	CAQ	CAP	H21	118.0°	119.9°
CAL	CAQ	CAP	H19	66.9°	62.9°
CAL	CAQ	OAR	H22	180.0°	60.0°
CAP	CAQ	CAL	H12	68.6°	62.4°
CAQ	CAP	CAO	H17	174.0°	176.9°
CAQ	CAP	OAS	H20	57.7°	60.4°
CAP	CAQ	OAR	H22	58.5°	179.7°
C3	C4	C5	O5	55.6°	57.6°
C3	C4	C5	O4	121.6°	119.8°
C3	C4	C5	H1	118.5°	120.0°
C3	C4	O4	H1	119.1°	120.2°
C3	C4	C5	C6	175.9°	177.6°
C3	C4	C5	H2	65.3°	62.4°
C4	C3	C2	H6	172.0°	176.9°
C4	C3	O3	H8	58.6°	179.6°
C3	C4	O4	H9	180.0°	60.3°
C1	O5	C5	C4	64.0°	61.2°
C1	O5	C5	C6	175.2°	178.9°
C1	O5	C5	H2	56.1°	58.8°
O5	C1	C2	H6	179.4°	177.5°
O5	C5	C4	C6	120.3°	120.0°
O5	C5	C4	H2	120.8°	120.1°
O5	C5	C4	O4	66.1°	62.2°
O5	C5	C6	H2	119.7°	120.1°
O5	C5	C6	O6	52.9°	65.1°
O5	C5	C4	H1	174.1°	177.6°
O5	C5	C6	H3	172.8°	175.0°
O5	C5	C6	H4	67.0°	55.0°
C5	O5	C1	H11	58.0°	58.8°
C5	C4	O4	H1	119.1°	120.2°
C4	C5	C6	H2	118.8°	120.0°
C4	C5	C6	O6	174.4°	175.0°
C4	C5	C6	H3	65.7°	55.0°
C4	C5	C6	H4	54.5°	65.0°
C5	C4	C3	H7	68.8°	62.9°
C5	C4	O4	H9	58.3°	180.0°
O4	C4	C5	C6	54.3°	57.7°
O4	C4	C5	H2	173.1°	177.7°
O4	C4	C3	H7	169.6°	177.2°
C5	C6	O6	H3	119.9°	120.0°
C5	C6	O6	H4	119.9°	120.0°
C6	C5	C4	H1	65.6°	62.4°
C5	C6	H3	H4	120.4°	120.0°
C5	C6	O6	H10	180.0°	180.0°
O6	C6	C5	H2	66.8°	55.0°
O6	C6	H3	H4	120.3°	120.0°
H1	C4	C5	H2	53.2°	57.6°
H1	C4	C3	H7	49.7°	57.1°
H1	C4	O4	H9	60.8°	59.9°
H2	C5	C6	H3	53.1°	64.9°
H2	C5	C6	H4	173.3°	175.0°
H3	C6	O6	H10	60.1°	60.0°
H4	C6	O6	H10	60.1°	60.0°
H5	O2	C2	H6	60.0°	59.9°
H6	C2	C3	H7	53.3°	57.1°
H6	C2	C1	H11	55.0°	57.5°
H7	C3	O3	H8	60.7°	60.2°
H12	CAL	CAQ	H21	49.4°	57.5°
H13	CAN	CAU	H14	174.3°	65.0°
H13	CAN	CAU	H15	65.6°	175.0°
H13	CAN	CAO	H17	58.7°	57.5°
H14	CAU	OAV	H16	60.0°	60.1°
H15	CAU	OAV	H16	60.1°	60.0°
H17	CAO	OAT	H18	60.1°	59.8°
H17	CAO	CAP	H19	55.7°	57.0°
H19	CAP	OAS	H20	61.2°	59.9°
H19	CAP	CAQ	H21	51.0°	57.0°
H21	CAQ	OAR	H22	61.2°	60.2°

Release date:	2020-07-29
Last modified:	2020-07-29
Processing site:	RCSB