E1R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2A	C2	sing	1.51Å	1.40Å
C2	N1	doub	1.32Å	1.34Å	Aromatic
C2	C3	sing	1.39Å	1.41Å	Aromatic
N1	C6	sing	1.32Å	1.40Å	Aromatic
O3	C3	sing	1.36Å	1.37Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C4	C4A	sing	1.48Å	1.40Å
C5	C5A	sing	1.51Å	1.43Å
C4A	N	doub	1.29Å	1.34Å
OXT	C	doub	1.21Å	1.26Å
C5A	O4P	sing	1.43Å	1.40Å
N	CA	sing	1.47Å	1.46Å
O4P	P	sing	1.61Å	1.64Å
C	CA	sing	1.51Å	1.54Å
C	O	sing	1.34Å	1.25Å
CA	CB	sing	1.53Å	1.54Å
P	O3P	doub	1.48Å	1.48Å
P	O2P	sing	1.61Å	1.60Å
P	O1P	sing	1.61Å	1.48Å
OG	CB	sing	1.45Å	1.45Å
OG	C1A	sing	1.34Å	1.37Å
C3A	C1A	sing	1.51Å	1.39Å
C1A	OAC	doub	1.21Å	1.23Å
O2P	H1	sing	0.97Å	0.95Å
O1P	H2	sing	0.97Å	0.95Å
C5A	H3	sing	1.09Å	1.10Å
C5A	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C2A	H6	sing	1.09Å	1.10Å
C2A	H7	sing	1.09Å	1.10Å
C2A	H8	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å
C4A	H10	sing	1.08Å	1.08Å
CA	H11	sing	1.09Å	1.10Å
O	H12	sing	0.97Å	0.95Å
CB	H13	sing	1.09Å	1.10Å
CB	H14	sing	1.09Å	1.10Å
C3A	H15	sing	1.09Å	1.10Å
C3A	H16	sing	1.09Å	1.10Å
C3A	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C2	N1	118.7°	119.6°
C2A	C2	C3	122.9°	119.5°
C2	C2A	H6	109.5°	109.5°
C2	C2A	H7	109.5°	109.5°
C2	C2A	H8	109.5°	109.4°
N1	C2	C3	118.4°	120.9°
C2	N1	C6	120.8°	122.1°
C2	C3	O3	118.7°	120.6°
C2	C3	C4	122.9°	118.8°
N1	C6	C5	122.2°	121.0°
N1	C6	H5	118.9°	119.5°
O3	C3	C4	118.4°	120.6°
C3	O3	H9	109.5°	114.0°
C3	C4	C5	118.0°	118.1°
C3	C4	C4A	119.7°	121.0°
C6	C5	C4	117.7°	119.1°
C6	C5	C5A	118.6°	120.4°
C5	C6	H5	118.9°	119.5°
C5	C4	C4A	122.3°	120.9°
C4	C5	C5A	123.7°	120.5°
C4	C4A	N	118.7°	119.9°
C4	C4A	H10	120.6°	120.0°
C5	C5A	O4P	111.3°	109.5°
C5	C5A	H3	109.0°	109.4°
C5	C5A	H4	109.0°	109.5°
C4A	N	CA	125.2°	120.0°
N	C4A	H10	120.6°	120.1°
OXT	C	CA	117.4°	120.0°
OXT	C	O	124.6°	120.0°
C5A	O4P	P	119.1°	123.0°
O4P	C5A	H3	109.0°	109.5°
O4P	C5A	H4	109.0°	109.4°
N	CA	C	109.7°	109.5°
N	CA	CB	105.7°	109.4°
N	CA	H11	110.4°	109.5°
O4P	P	O3P	108.3°	109.5°
O4P	P	O2P	105.3°	109.5°
O4P	P	O1P	104.7°	109.5°
CA	C	O	118.0°	120.0°
C	CA	CB	112.3°	109.5°
C	CA	H11	109.3°	109.5°
C	O	H12	109.5°	117.0°
CA	CB	OG	110.4°	109.5°
CB	CA	H11	109.4°	109.5°
CA	CB	H13	109.2°	109.4°
CA	CB	H14	109.2°	109.5°
O3P	P	O2P	108.2°	109.5°
O3P	P	O1P	120.1°	109.5°
O2P	P	O1P	109.3°	109.5°
P	O2P	H1	109.5°	114.0°
P	O1P	H2	109.5°	114.0°
CB	OG	C1A	115.1°	117.0°
OG	CB	H13	109.3°	109.5°
OG	CB	H14	109.3°	109.5°
OG	C1A	C3A	115.4°	120.0°
OG	C1A	OAC	124.6°	120.0°
C3A	C1A	OAC	120.0°	120.0°
C1A	C3A	H15	109.5°	109.4°
C1A	C3A	H16	109.5°	109.5°
C1A	C3A	H17	109.5°	109.5°
H3	C5A	H4	109.5°	109.5°
H6	C2A	H7	109.4°	109.5°
H6	C2A	H8	109.5°	109.4°
H7	C2A	H8	109.4°	109.4°
H13	CB	H14	109.5°	109.4°
H15	C3A	H16	109.4°	109.5°
H15	C3A	H17	109.5°	109.4°
H16	C3A	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C2	N1	C3	179.7°	179.9°
C2A	C2	N1	C6	179.9°	180.0°
C2A	C2	C3	O3	0.2°	0.0°
C2A	C2	C3	C4	179.9°	179.7°
C2	C2A	H6	H7	120.0°	120.1°
C2	C2A	H6	H8	120.0°	120.0°
C2	C2A	H7	H8	120.0°	120.0°
N1	C2	C3	O3	179.9°	179.9°
N1	C2	C3	C4	0.4°	0.2°
C2	N1	C6	C5	0.4°	0.1°
C2	N1	C6	H5	179.6°	180.0°
N1	C2	C2A	H6	0.0°	89.9°
N1	C2	C2A	H7	120.0°	150.0°
N1	C2	C2A	H8	120.0°	30.0°
C3	C2	N1	C6	0.2°	0.1°
C2	C3	O3	C4	179.6°	179.7°
C2	C3	C4	C5	0.2°	0.5°
C2	C3	C4	C4A	179.4°	180.0°
C3	C2	C2A	H6	179.7°	90.0°
C3	C2	C2A	H7	60.3°	30.1°
C3	C2	C2A	H8	59.7°	150.0°
C2	C3	O3	H9	180.0°	90.0°
N1	C6	C5	H5	180.0°	179.9°
N1	C6	C5	C4	0.6°	0.2°
N1	C6	C5	C5A	178.3°	180.0°
O3	C3	C4	C5	179.8°	179.8°
O3	C3	C4	C4A	1.0°	0.3°
C3	C4	C5	C6	0.3°	0.5°
C3	C4	C5	C4A	179.2°	179.5°
C3	C4	C5	C5A	177.9°	179.8°
C3	C4	C4A	N	49.9°	0.0°
C4	C3	O3	H9	0.4°	89.7°
C3	C4	C4A	H10	130.1°	180.0°
C6	C5	C4	C5A	177.6°	179.8°
C6	C5	C4	C4A	178.9°	180.0°
C6	C5	C5A	O4P	118.3°	0.0°
C6	C5	C5A	H3	1.9°	120.1°
C6	C5	C5A	H4	121.4°	120.0°
C5	C4	C4A	N	129.3°	179.5°
C4	C5	C5A	O4P	64.1°	179.8°
C4	C5	C5A	H3	175.6°	59.7°
C4	C5	C5A	H4	56.1°	60.3°
C4	C5	C6	H5	179.4°	179.7°
C5	C4	C4A	H10	50.7°	0.5°
C4A	C4	C5	C5A	1.3°	0.2°
C4	C4A	N	H10	180.0°	180.0°
C4	C4A	N	CA	177.4°	180.0°
C5	C5A	O4P	H3	120.3°	120.0°
C5	C5A	O4P	H4	120.2°	120.0°
C5	C5A	O4P	P	149.7°	180.0°
C5	C5A	H3	H4	119.1°	120.0°
C5A	C5	C6	H5	1.7°	0.1°
C4A	N	CA	C	145.3°	120.0°
C4A	N	CA	CB	93.5°	120.0°
C4A	N	CA	H11	24.7°	0.0°
OXT	C	CA	N	34.7°	0.1°
OXT	C	CA	O	178.2°	179.9°
OXT	C	CA	CB	151.9°	119.9°
OXT	C	CA	H11	86.5°	120.0°
OXT	C	O	H12	0.0°	0.0°
C5A	O4P	P	O3P	162.3°	55.0°
C5A	O4P	P	O2P	46.7°	65.0°
C5A	O4P	P	O1P	68.5°	175.0°
O4P	C5A	H3	H4	119.2°	120.0°
N	CA	C	CB	117.2°	120.0°
N	CA	C	H11	121.2°	120.0°
N	CA	C	O	147.0°	180.0°
N	CA	CB	H11	118.9°	120.0°
N	CA	CB	OG	56.5°	65.0°
CA	N	C4A	H10	2.6°	0.0°
N	CA	CB	H13	176.7°	175.0°
N	CA	CB	H14	63.6°	55.0°
O4P	P	O3P	O2P	113.7°	120.0°
O4P	P	O3P	O1P	120.0°	120.0°
O4P	P	O2P	O1P	112.0°	120.0°
O4P	P	O2P	H1	115.6°	60.1°
O4P	P	O1P	H2	121.8°	180.0°
P	O4P	C5A	H3	90.1°	60.0°
P	O4P	C5A	H4	29.4°	60.0°
C	CA	CB	H11	121.6°	120.0°
C	CA	CB	OG	63.0°	55.0°
CA	C	O	H12	178.1°	179.9°
C	CA	CB	H13	57.1°	65.0°
C	CA	CB	H14	176.8°	175.0°
O	C	CA	CB	29.8°	60.0°
O	C	CA	H11	91.8°	60.1°
CA	CB	OG	H13	120.1°	120.0°
CA	CB	OG	H14	120.1°	120.1°
CA	CB	OG	C1A	178.7°	180.0°
CA	CB	H13	H14	119.6°	120.0°
O3P	P	O2P	O1P	132.3°	120.0°
O3P	P	O2P	H1	0.0°	180.0°
O3P	P	O1P	H2	0.0°	60.0°
O2P	P	O1P	H2	125.8°	60.0°
O1P	P	O2P	H1	132.4°	59.9°
CB	OG	C1A	C3A	165.7°	180.0°
CB	OG	C1A	OAC	14.6°	0.0°
OG	CB	CA	H11	175.4°	175.0°
OG	CB	H13	H14	119.6°	120.0°
OG	C1A	C3A	OAC	179.7°	180.0°
C1A	OG	CB	H13	61.1°	60.0°
C1A	OG	CB	H14	58.6°	59.9°
OG	C1A	C3A	H15	179.7°	0.0°
OG	C1A	C3A	H16	60.4°	120.0°
OG	C1A	C3A	H17	59.7°	120.0°
C1A	C3A	H15	H16	120.0°	120.0°
C1A	C3A	H15	H17	120.0°	120.0°
C1A	C3A	H16	H17	120.0°	120.1°
OAC	C1A	C3A	H15	0.0°	180.0°
OAC	C1A	C3A	H16	120.0°	60.0°
OAC	C1A	C3A	H17	120.0°	60.1°
H6	C2A	H7	H8	120.0°	120.0°
H11	CA	CB	H13	64.5°	55.0°
H11	CA	CB	H14	55.3°	65.0°
H15	C3A	H16	H17	120.0°	119.9°

Release date:	2020-09-23
Definition date:	2019-10-02
Last modified:	2020-09-18
Release status:	REL
Processing site:	PDBJ
Derived from:	6L0R