O1B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.47Å	1.43Å
C	C1	sing	1.53Å	1.55Å
C1	N1	sing	1.47Å	1.45Å
N1	C2	sing	1.35Å	1.33Å
O6	P	doub	1.48Å	1.60Å
O	C2	doub	1.21Å	1.23Å
O2	C4	sing	1.43Å	1.42Å
C2	C3	sing	1.51Å	1.51Å
O5	P	sing	1.61Å	1.51Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.52Å
P	O4	sing	1.61Å	1.59Å
P	O7	sing	1.61Å	1.44Å
C3	O1	sing	1.43Å	1.41Å
C6	O4	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.51Å
C5	O3	sing	1.43Å	1.42Å
O3	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
N1	H6	sing	0.97Å	1.00Å
O5	H7	sing	0.97Å	0.95Å
O7	H8	sing	0.97Å	0.95Å
O2	H9	sing	0.97Å	0.95Å
C3	H10	sing	1.09Å	1.10Å
O1	H11	sing	0.97Å	0.95Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
N	H16	sing	1.01Å	1.00Å
N	H17	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	106.8°	109.5°
N	C	H14	110.1°	109.5°
N	C	H15	110.1°	109.4°
C	N	H16	109.5°	111.0°
C	N	H17	109.5°	111.0°
C	C1	N1	113.0°	109.4°
C	C1	H12	108.6°	109.5°
C	C1	H13	108.6°	109.5°
C1	C	H14	110.1°	109.5°
C1	C	H15	110.1°	109.5°
C1	N1	C2	122.1°	120.0°
C1	N1	H6	118.9°	120.0°
N1	C1	H12	108.6°	109.5°
N1	C1	H13	108.6°	109.4°
N1	C2	O	123.8°	120.0°
N1	C2	C3	117.0°	120.0°
C2	N1	H6	119.0°	120.0°
O6	P	O5	111.1°	109.5°
O6	P	O4	102.9°	109.5°
O6	P	O7	115.9°	109.5°
O	C2	C3	119.1°	120.0°
O2	C4	C3	107.1°	109.5°
O2	C4	C5	109.2°	109.5°
O2	C4	H2	112.2°	109.4°
C4	O2	H9	109.5°	114.0°
C2	C3	C4	102.5°	109.5°
C2	C3	O1	111.3°	109.5°
C2	C3	H10	110.5°	109.5°
O5	P	O4	104.3°	109.5°
O5	P	O7	110.8°	109.5°
P	O5	H7	109.5°	114.0°
C3	C4	C5	106.9°	109.5°
C4	C3	O1	110.0°	109.4°
C3	C4	H2	110.6°	109.4°
C4	C3	H10	110.3°	109.5°
C4	C5	C6	112.4°	109.5°
C4	C5	O3	105.1°	109.5°
C5	C4	H2	110.6°	109.5°
C4	C5	H3	108.5°	109.5°
O4	P	O7	111.0°	109.4°
P	O4	C6	110.3°	122.9°
P	O7	H8	109.5°	113.9°
O1	C3	H10	112.0°	109.5°
C3	O1	H11	109.5°	114.0°
O4	C6	C5	108.8°	109.4°
O4	C6	H4	109.6°	109.5°
O4	C6	H5	109.6°	109.5°
C6	C5	O3	112.0°	109.4°
C6	C5	H3	108.7°	109.5°
C5	C6	H4	109.6°	109.5°
C5	C6	H5	109.7°	109.5°
C5	O3	H1	109.5°	114.0°
O3	C5	H3	110.0°	109.5°
H4	C6	H5	109.5°	109.5°
H12	C1	H13	109.5°	109.5°
H14	C	H15	109.5°	109.5°
H16	N	H17	109.4°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	H14	119.6°	120.0°
N	C	C1	H15	119.6°	120.0°
N	C	C1	N1	179.6°	180.0°
N	C	C1	H12	59.9°	60.0°
N	C	C1	H13	59.1°	60.0°
N	C	H14	H15	121.2°	120.0°
C	N	H16	H17	120.0°	123.9°
C	C1	N1	H12	120.5°	120.0°
C	C1	N1	H13	120.5°	120.0°
C	C1	N1	C2	52.2°	179.9°
C	C1	N1	H6	127.8°	0.1°
C	C1	H12	H13	118.4°	120.0°
C1	C	H14	H15	121.2°	120.0°
C1	C	N	H16	180.0°	180.0°
C1	C	N	H17	60.0°	56.1°
C1	N1	C2	H6	180.0°	179.8°
C1	N1	C2	O	38.7°	0.1°
C1	N1	C2	C3	138.9°	180.0°
N1	C1	H12	H13	118.4°	120.0°
N1	C1	C	H14	60.0°	60.0°
N1	C1	C	H15	60.8°	60.1°
N1	C2	O	C3	177.5°	179.9°
N1	C2	C3	C4	126.2°	65.1°
N1	C2	C3	O1	8.7°	175.0°
N1	C2	C3	H10	116.3°	54.9°
C2	N1	C1	H12	172.8°	60.0°
C2	N1	C1	H13	68.3°	60.1°
O6	P	O5	O4	110.2°	120.0°
O6	P	O5	O7	130.3°	120.0°
O6	P	O4	O7	124.6°	120.0°
O6	P	O4	C6	39.0°	55.0°
O6	P	O5	H7	0.0°	180.0°
O6	P	O7	H8	0.0°	60.0°
O	C2	C3	C4	51.5°	115.0°
O	C2	C3	O1	169.0°	5.0°
O	C2	N1	H6	141.3°	179.9°
O	C2	C3	H10	66.0°	125.0°
O2	C4	C3	C2	71.6°	54.9°
O2	C4	C3	C5	116.9°	120.1°
O2	C4	C3	H2	122.6°	120.0°
O2	C4	C5	H2	124.0°	120.0°
O2	C4	C3	O1	46.8°	65.1°
O2	C4	C5	C6	65.9°	60.0°
O2	C4	C5	O3	172.0°	180.0°
O2	C4	C5	H3	54.4°	60.0°
O2	C4	C3	H10	170.8°	175.0°
C2	C3	C4	O1	118.4°	120.0°
C2	C3	C4	H10	117.6°	120.0°
C2	C3	C4	C5	171.5°	175.0°
C2	C3	O1	H10	124.2°	120.1°
C2	C3	C4	H2	50.9°	65.0°
C3	C2	N1	H6	41.1°	0.2°
C2	C3	O1	H11	180.0°	59.9°
O5	P	O4	O7	119.3°	120.0°
O5	P	O4	C6	155.1°	65.0°
O5	P	O7	H8	127.8°	60.0°
C3	C4	C5	H2	120.5°	120.0°
C4	C3	O1	H10	122.9°	119.9°
C3	C4	C5	C6	178.6°	180.0°
C3	C4	C5	O3	56.5°	60.0°
C3	C4	C5	H3	61.1°	60.0°
C3	C4	O2	H9	180.0°	60.1°
C4	C3	O1	H11	67.1°	60.1°
C5	C4	C3	O1	70.1°	55.0°
C4	C5	C6	O4	80.2°	175.0°
C4	C5	C6	O3	118.1°	120.0°
C4	C5	C6	H3	120.2°	120.0°
C4	C5	O3	H3	116.6°	120.0°
C4	C5	O3	H1	180.0°	60.0°
C4	C5	C6	H4	39.7°	55.0°
C4	C5	C6	H5	159.9°	65.0°
C5	C4	O2	H9	64.6°	60.0°
C5	C4	C3	H10	53.9°	65.0°
P	O4	C6	C5	159.8°	180.0°
P	O4	C6	H4	39.9°	60.0°
P	O4	C6	H5	80.3°	60.0°
O4	P	O5	H7	110.2°	60.0°
O4	P	O7	H8	116.8°	180.0°
O7	P	O4	C6	85.6°	175.0°
O7	P	O5	H7	130.3°	60.0°
O1	C3	C4	H2	169.4°	175.0°
O4	C6	C5	H4	119.9°	120.0°
O4	C6	C5	H5	119.9°	120.0°
O4	C6	C5	O3	37.9°	65.0°
O4	C6	C5	H3	159.6°	55.0°
O4	C6	H4	H5	120.3°	120.0°
C6	C5	O3	H3	121.0°	120.0°
C6	C5	O3	H1	57.7°	60.0°
C6	C5	C4	H2	58.1°	60.0°
C5	C6	H4	H5	120.3°	120.0°
O3	C5	C4	H2	64.0°	60.0°
O3	C5	C6	H4	157.8°	175.0°
O3	C5	C6	H5	82.0°	55.0°
H1	O3	C5	H3	63.4°	180.0°
H2	C4	C5	H3	178.4°	180.0°
H2	C4	O2	H9	58.5°	180.0°
H2	C4	C3	H10	66.7°	55.0°
H3	C5	C6	H4	80.5°	65.0°
H3	C5	C6	H5	39.7°	175.0°
H6	N1	C1	H12	7.3°	119.9°
H6	N1	C1	H13	111.7°	120.1°
H10	C3	O1	H11	55.8°	180.0°
H12	C1	C	H14	179.5°	180.0°
H12	C1	C	H15	59.7°	59.9°
H13	C1	C	H14	60.5°	60.0°
H13	C1	C	H15	178.7°	180.0°
H14	C	N	H16	60.4°	60.0°
H14	C	N	H17	59.6°	176.1°
H15	C	N	H16	60.4°	60.0°
H15	C	N	H17	179.6°	63.9°

Release date:	2020-07-29
Definition date:	2020-01-20
Last modified:	2020-07-24
Release status:	REL
Processing site:	PDBE
Derived from:	6XUH