M2P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.43Å
C1	H11A	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62A	sing	1.09Å	1.12Å
C4	C3	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.43Å
C4	H4	sing	1.09Å	1.11Å
C3	C2	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.12Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.11Å
O12	P1	doub	1.48Å	1.61Å
P1	O13	sing	1.61Å	1.61Å
P1	O11	sing	1.61Å	1.48Å
P1	O1	sing	1.61Å	1.61Å
O13	H13	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O5	HO5	sing	0.97Å	0.95Å
O6	P6	sing	1.61Å	1.61Å
P6	O62	sing	1.61Å	1.61Å
P6	O63	sing	1.61Å	1.61Å
P6	O61	doub	1.48Å	1.48Å
O62	H62	sing	0.97Å	0.95Å
O63	H63	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	110.2°	109.5°
C2	C1	H11A	111.9°	109.5°
C2	C1	H12	111.9°	109.4°
C1	C2	C3	110.8°	109.5°
C1	C2	O2	109.6°	109.5°
C1	C2	H2	108.8°	109.5°
O1	C1	H11A	111.9°	109.5°
O1	C1	H12	111.9°	109.4°
C1	O1	P1	121.2°	106.8°
H11A	C1	H12	98.6°	109.5°
C6	C5	C4	110.8°	109.5°
C6	C5	O5	109.3°	109.5°
C6	C5	H5	108.8°	109.5°
C5	C6	O6	110.5°	109.5°
C5	C6	H61	111.8°	109.4°
C5	C6	H62A	111.8°	109.5°
C4	C5	O5	109.6°	109.4°
C4	C5	H5	108.5°	109.4°
C5	C4	C3	110.9°	109.5°
C5	C4	O4	109.6°	109.5°
C5	C4	H4	108.5°	109.5°
O5	C5	H5	109.8°	109.5°
C5	O5	HO5	109.4°	106.8°
O6	C6	H61	111.8°	109.5°
O6	C6	H62A	111.8°	109.5°
C6	O6	P6	119.8°	106.8°
H61	C6	H62A	98.6°	109.5°
C3	C4	O4	109.8°	109.4°
C3	C4	H4	108.4°	109.5°
C4	C3	C2	111.5°	109.5°
C4	C3	O3	109.0°	109.5°
C4	C3	H3	108.3°	109.5°
O4	C4	H4	109.7°	109.5°
C4	O4	HO4	109.5°	106.8°
C2	C3	O3	109.0°	109.5°
C2	C3	H3	108.3°	109.5°
C3	C2	O2	110.3°	109.5°
C3	C2	H2	108.0°	109.5°
O3	C3	H3	110.8°	109.5°
C3	O3	HO3	109.1°	106.8°
O2	C2	H2	109.3°	109.4°
C2	O2	HO2	109.5°	106.7°
O12	P1	O13	106.5°	109.5°
O12	P1	O11	112.8°	109.5°
O12	P1	O1	106.2°	109.4°
O13	P1	O11	112.5°	109.5°
O13	P1	O1	105.8°	109.5°
P1	O13	H13	106.5°	106.8°
O11	P1	O1	112.4°	109.5°
P1	O11	H11	112.9°	106.8°
O6	P6	O62	105.2°	109.5°
O6	P6	O63	106.7°	109.5°
O6	P6	O61	112.2°	109.5°
O62	P6	O63	107.0°	109.4°
O62	P6	O61	112.7°	109.5°
P6	O62	H62	105.2°	106.8°
O63	P6	O61	112.4°	109.5°
P6	O63	H63	106.7°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H11A	125.2°	120.0°
C2	C1	O1	H12	125.2°	120.0°
C2	C1	H11A	H12	117.9°	120.0°
C1	C2	C3	C4	137.9°	180.0°
C1	C2	C3	O2	121.5°	120.0°
C1	C2	C3	H2	119.0°	120.0°
C1	C2	C3	O3	101.7°	60.0°
C1	C2	C3	H3	18.9°	60.0°
C1	C2	O2	H2	119.1°	120.0°
C2	C1	O1	P1	148.8°	180.0°
C1	C2	O2	HO2	180.0°	60.0°
O1	C1	H11A	H12	117.8°	120.0°
O1	C1	C2	C3	55.1°	175.0°
O1	C1	C2	O2	66.9°	64.9°
O1	C1	C2	H2	173.6°	55.0°
C1	O1	P1	O12	42.6°	55.0°
C1	O1	P1	O13	70.4°	175.0°
C1	O1	P1	O11	166.5°	65.0°
H11A	C1	C2	C3	179.7°	55.0°
H11A	C1	C2	O2	58.4°	175.0°
H11A	C1	C2	H2	61.1°	65.0°
H11A	C1	O1	P1	23.6°	60.0°
H12	C1	C2	C3	70.1°	65.0°
H12	C1	C2	O2	167.9°	55.0°
H12	C1	C2	H2	48.5°	175.0°
H12	C1	O1	P1	86.0°	60.1°
C6	C5	C4	O5	120.8°	120.0°
C6	C5	C4	H5	119.3°	120.1°
C6	C5	O5	H5	119.3°	120.1°
C5	C6	O6	H61	125.3°	119.9°
C5	C6	O6	H62A	125.2°	120.0°
C5	C6	H61	H62A	117.7°	120.0°
C6	C5	C4	C3	178.5°	180.0°
C6	C5	C4	O4	60.2°	60.0°
C6	C5	C4	H4	59.6°	59.9°
C6	C5	O5	HO5	180.0°	60.0°
C5	C6	O6	P6	176.6°	180.0°
C4	C5	O5	H5	119.1°	119.9°
C4	C5	C6	O6	179.5°	175.0°
C4	C5	C6	H61	54.2°	55.0°
C4	C5	C6	H62A	55.3°	65.0°
C5	C4	C3	O4	121.2°	120.0°
C5	C4	C3	H4	119.0°	120.1°
C5	C4	O4	H4	119.0°	120.0°
C5	C4	C3	C2	178.6°	175.0°
C5	C4	C3	O3	61.0°	55.0°
C5	C4	C3	H3	59.6°	65.0°
C5	C4	O4	HO4	180.0°	60.0°
C4	C5	O5	HO5	58.4°	60.0°
O5	C5	C6	O6	59.6°	65.0°
O5	C5	C6	H61	175.2°	175.0°
O5	C5	C6	H62A	65.7°	55.0°
O5	C5	C4	C3	57.7°	60.0°
O5	C5	C4	O4	179.1°	180.0°
O5	C5	C4	H4	61.2°	60.0°
H5	C5	C6	O6	60.4°	55.0°
H5	C5	C6	H61	64.9°	65.0°
H5	C5	C6	H62A	174.4°	175.1°
H5	C5	C4	C3	62.2°	59.9°
H5	C5	C4	O4	59.1°	60.0°
H5	C5	C4	H4	178.9°	180.0°
H5	C5	O5	HO5	60.7°	179.9°
O6	C6	H61	H62A	117.7°	120.1°
C6	O6	P6	O62	71.2°	65.0°
C6	O6	P6	O63	42.3°	175.0°
C6	O6	P6	O61	165.9°	55.0°
H61	C6	O6	P6	58.1°	60.0°
H62A	C6	O6	P6	51.4°	60.0°
C3	C4	O4	H4	118.9°	120.0°
C4	C3	C2	O3	120.4°	120.0°
C4	C3	C2	H3	119.0°	120.0°
C4	C3	O3	H3	119.1°	120.0°
C4	C3	C2	O2	16.4°	60.0°
C4	C3	C2	H2	103.0°	60.0°
C4	C3	O3	HO3	180.0°	60.0°
C3	C4	O4	HO4	58.0°	60.0°
O4	C4	C3	C2	60.2°	55.0°
O4	C4	C3	O3	60.2°	65.0°
O4	C4	C3	H3	179.2°	175.0°
H4	C4	C3	C2	59.6°	64.9°
H4	C4	C3	O3	180.0°	175.0°
H4	C4	C3	H3	59.4°	55.0°
H4	C4	O4	HO4	61.0°	180.0°
C2	C3	O3	H3	119.1°	120.0°
C3	C2	O2	H2	118.6°	120.0°
C3	C2	O2	HO2	57.7°	60.0°
C2	C3	O3	HO3	58.2°	60.0°
O3	C3	C2	O2	136.8°	180.0°
O3	C3	C2	H2	17.4°	60.0°
H3	C3	C2	O2	102.6°	60.0°
H3	C3	C2	H2	138.0°	180.0°
H3	C3	O3	HO3	60.9°	180.0°
H2	C2	O2	HO2	60.9°	180.0°
O12	P1	O13	O11	124.1°	120.0°
O12	P1	O13	O1	112.8°	119.9°
O12	P1	O11	O1	120.2°	120.0°
O12	P1	O13	H13	180.0°	60.0°
O12	P1	O11	H11	180.0°	180.0°
O13	P1	O11	O1	119.4°	120.0°
O13	P1	O11	H11	59.5°	60.0°
O11	P1	O13	H13	55.9°	60.0°
O1	P1	O13	H13	67.2°	180.0°
O1	P1	O11	H11	59.8°	60.0°
O6	P6	O62	O63	113.3°	120.0°
O6	P6	O62	O61	122.6°	120.0°
O6	P6	O63	O61	123.5°	120.0°
O6	P6	O62	H62	180.0°	60.0°
O6	P6	O63	H63	180.0°	180.0°
O62	P6	O63	O61	124.3°	120.0°
O62	P6	O63	H63	67.7°	60.0°
O63	P6	O62	H62	66.7°	60.0°
O61	P6	O62	H62	57.4°	180.0°
O61	P6	O63	H63	56.5°	60.0°

Definition date:	2005-04-26
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	1ZAJ