26G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CM2	C2A	sing	1.51Å	1.51Å
C2A	N3A	doub	1.32Å	1.32Å	Aromatic
C2A	N1A	sing	1.32Å	1.31Å	Aromatic
N3A	C4A	sing	1.33Å	1.34Å	Aromatic
N1A	C6A	doub	1.32Å	1.35Å	Aromatic
C30	C2	doub	1.38Å	1.39Å	Aromatic
C30	C28	sing	1.38Å	1.39Å	Aromatic
C4A	N4A	sing	1.39Å	1.41Å
C4A	C5A	doub	1.40Å	1.41Å	Aromatic
C2	C01	sing	1.38Å	1.41Å	Aromatic
C6A	C5A	sing	1.38Å	1.42Å	Aromatic
C5A	C7A	sing	1.51Å	1.52Å
C28	C5	doub	1.38Å	1.39Å	Aromatic
C01	C7A	sing	1.51Å	1.54Å
C01	C4	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.51Å	1.53Å
C6	C02	sing	1.53Å	1.52Å
C02	O31	sing	1.43Å	1.41Å
CM2	H1	sing	1.09Å	1.10Å
CM2	H2	sing	1.09Å	1.10Å
CM2	H3	sing	1.09Å	1.10Å
N4A	H4	sing	0.97Å	1.00Å
N4A	H5	sing	0.97Å	1.00Å
C02	H6	sing	1.09Å	1.10Å
C02	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.08Å	1.08Å
C4	H11	sing	1.08Å	1.08Å
C7A	H12	sing	1.09Å	1.10Å
C7A	H13	sing	1.09Å	1.10Å
C6A	H14	sing	1.08Å	1.08Å
C28	H15	sing	1.08Å	1.08Å
C30	H16	sing	1.08Å	1.08Å
O31	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CM2	C2A	N3A	118.2°	119.1°
CM2	C2A	N1A	118.4°	119.1°
C2A	CM2	H1	109.5°	109.5°
C2A	CM2	H2	109.5°	109.5°
C2A	CM2	H3	109.5°	109.5°
N3A	C2A	N1A	123.4°	121.8°
C2A	N3A	C4A	120.6°	120.7°
C2A	N1A	C6A	120.9°	121.1°
N3A	C4A	N4A	120.0°	120.5°
N3A	C4A	C5A	118.9°	118.9°
N1A	C6A	C5A	118.4°	119.2°
N1A	C6A	H14	120.8°	120.5°
C2	C30	C28	119.3°	120.0°
C30	C2	C01	121.0°	120.0°
C30	C2	H10	119.5°	120.0°
C2	C30	H16	120.4°	120.0°
C30	C28	C5	120.4°	120.0°
C30	C28	H15	119.8°	120.0°
C28	C30	H16	120.4°	120.1°
N4A	C4A	C5A	121.0°	120.5°
C4A	N4A	H4	109.5°	120.0°
C4A	N4A	H5	109.5°	120.0°
C4A	C5A	C6A	117.8°	118.3°
C4A	C5A	C7A	121.5°	120.8°
C2	C01	C7A	123.0°	120.0°
C2	C01	C4	118.9°	120.0°
C01	C2	H10	119.5°	120.0°
C6A	C5A	C7A	120.7°	120.8°
C5A	C6A	H14	120.8°	120.4°
C5A	C7A	C01	111.5°	109.4°
C5A	C7A	H12	108.9°	109.4°
C5A	C7A	H13	109.0°	109.5°
C28	C5	C4	119.8°	120.0°
C28	C5	C6	121.2°	120.0°
C5	C28	H15	119.8°	120.0°
C7A	C01	C4	118.0°	120.0°
C01	C7A	H12	109.0°	109.5°
C01	C7A	H13	109.0°	109.5°
C01	C4	C5	120.6°	120.0°
C01	C4	H11	119.7°	120.0°
C4	C5	C6	119.0°	120.0°
C5	C4	H11	119.7°	120.0°
C5	C6	C02	119.2°	109.5°
C5	C6	H8	107.0°	109.5°
C5	C6	H9	107.0°	109.5°
C6	C02	O31	111.3°	109.5°
C6	C02	H6	109.0°	109.5°
C6	C02	H7	109.0°	109.4°
C02	C6	H8	107.0°	109.5°
C02	C6	H9	107.0°	109.5°
O31	C02	H6	109.0°	109.5°
O31	C02	H7	109.0°	109.4°
C02	O31	H17	109.5°	114.1°
H1	CM2	H2	109.4°	109.5°
H1	CM2	H3	109.4°	109.5°
H2	CM2	H3	109.5°	109.5°
H4	N4A	H5	109.4°	120.0°
H6	C02	H7	109.5°	109.5°
H8	C6	H9	109.5°	109.4°
H12	C7A	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CM2	C2A	N3A	N1A	179.8°	180.0°
CM2	C2A	N3A	C4A	179.0°	180.0°
CM2	C2A	N1A	C6A	179.6°	180.0°
C2A	CM2	H1	H2	120.0°	120.0°
C2A	CM2	H1	H3	120.0°	120.0°
C2A	CM2	H2	H3	120.0°	120.0°
N3A	C2A	N1A	C6A	0.2°	0.0°
C2A	N3A	C4A	N4A	178.9°	180.0°
C2A	N3A	C4A	C5A	2.2°	0.3°
N3A	C2A	CM2	H1	0.0°	90.0°
N3A	C2A	CM2	H2	120.0°	150.0°
N3A	C2A	CM2	H3	120.0°	30.0°
N1A	C2A	N3A	C4A	0.8°	0.1°
C2A	N1A	C6A	C5A	1.0°	0.3°
N1A	C2A	CM2	H1	179.8°	90.0°
N1A	C2A	CM2	H2	59.8°	30.0°
N1A	C2A	CM2	H3	60.2°	150.0°
C2A	N1A	C6A	H14	179.0°	180.0°
N3A	C4A	N4A	C5A	176.6°	179.7°
N3A	C4A	C5A	C6A	3.0°	0.6°
N3A	C4A	C5A	C7A	178.5°	179.7°
N3A	C4A	N4A	H4	0.0°	179.7°
N3A	C4A	N4A	H5	120.0°	0.3°
N1A	C6A	C5A	C4A	2.4°	0.5°
N1A	C6A	C5A	H14	180.0°	179.8°
N1A	C6A	C5A	C7A	179.1°	179.7°
C2	C30	C28	H16	180.0°	180.0°
C30	C2	C01	H10	180.0°	179.8°
C2	C30	C28	C5	1.0°	0.5°
C30	C2	C01	C7A	179.8°	179.7°
C30	C2	C01	C4	0.2°	0.3°
C2	C30	C28	H15	179.0°	179.7°
C28	C30	C2	C01	0.2°	0.0°
C30	C28	C5	H15	180.0°	179.2°
C30	C28	C5	C4	1.4°	0.8°
C30	C28	C5	C6	178.5°	179.1°
C28	C30	C2	H10	179.8°	179.8°
N4A	C4A	C5A	C6A	179.6°	179.8°
N4A	C4A	C5A	C7A	1.9°	0.0°
C4A	N4A	H4	H5	120.0°	180.0°
C4A	C5A	C6A	C7A	178.5°	179.8°
C4A	C5A	C7A	C01	71.0°	85.0°
C5A	C4A	N4A	H4	176.6°	0.0°
C5A	C4A	N4A	H5	56.7°	180.0°
C4A	C5A	C7A	H12	168.7°	35.0°
C4A	C5A	C7A	H13	49.2°	155.0°
C4A	C5A	C6A	H14	177.6°	179.7°
C2	C01	C7A	C5A	0.4°	90.0°
C2	C01	C7A	C4	179.6°	180.0°
C2	C01	C4	C5	0.2°	0.0°
C2	C01	C4	H11	179.8°	179.4°
C2	C01	C7A	H12	119.8°	150.1°
C2	C01	C7A	H13	120.7°	30.0°
C01	C2	C30	H16	179.9°	180.0°
C6A	C5A	C7A	C01	110.5°	94.7°
C6A	C5A	C7A	H12	9.8°	145.3°
C6A	C5A	C7A	H13	129.2°	25.3°
C5A	C7A	C01	H12	120.3°	119.9°
C5A	C7A	C01	H13	120.3°	120.0°
C5A	C7A	C01	C4	179.9°	90.0°
C5A	C7A	H12	H13	119.1°	120.0°
C7A	C5A	C6A	H14	0.9°	0.0°
C28	C5	C4	C01	1.0°	0.6°
C28	C5	C4	C6	177.2°	180.0°
C28	C5	C6	C02	60.1°	90.1°
C28	C5	C6	H8	178.6°	149.9°
C28	C5	C6	H9	61.3°	30.0°
C28	C5	C4	H11	179.0°	179.9°
C5	C28	C30	H16	179.1°	179.5°
C7A	C01	C4	C5	179.4°	180.0°
C7A	C01	C2	H10	0.2°	0.0°
C7A	C01	C4	H11	0.6°	0.6°
C01	C7A	H12	H13	119.1°	120.0°
C01	C4	C5	H11	180.0°	179.4°
C01	C4	C5	C6	178.2°	179.4°
C4	C01	C2	H10	179.8°	180.0°
C4	C01	C7A	H12	59.8°	30.0°
C4	C01	C7A	H13	59.6°	150.0°
C4	C5	C6	C02	122.7°	90.0°
C4	C5	C6	H8	1.4°	30.0°
C4	C5	C6	H9	115.9°	150.0°
C4	C5	C28	H15	178.6°	180.0°
C5	C6	C02	H8	121.4°	120.0°
C5	C6	C02	H9	121.4°	120.0°
C5	C6	C02	O31	53.8°	180.0°
C5	C6	C02	H6	174.1°	60.0°
C5	C6	C02	H7	66.4°	60.0°
C5	C6	H8	H9	115.6°	120.0°
C6	C5	C4	H11	1.8°	0.0°
C6	C5	C28	H15	1.5°	0.1°
C6	C02	O31	H6	120.3°	120.1°
C6	C02	O31	H7	120.3°	120.0°
C6	C02	H6	H7	119.2°	120.0°
C02	C6	H8	H9	115.6°	120.0°
C6	C02	O31	H17	180.0°	180.0°
O31	C02	H6	H7	119.1°	119.9°
O31	C02	C6	H8	67.5°	60.0°
O31	C02	C6	H9	175.2°	59.9°
H1	CM2	H2	H3	120.0°	120.0°
H6	C02	C6	H8	52.7°	60.0°
H6	C02	C6	H9	64.5°	180.0°
H6	C02	O31	H17	59.7°	60.0°
H7	C02	C6	H8	172.2°	179.9°
H7	C02	C6	H9	54.9°	60.0°
H7	C02	O31	H17	59.8°	60.0°
H10	C2	C30	H16	0.2°	0.3°
H15	C28	C30	H16	0.9°	0.2°

Release date:	2014-08-27
Definition date:	2013-08-30
Last modified:	2014-08-22
Release status:	REL
Processing site:	RCSB
Derived from:	4MES