DJB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.51Å	1.54Å
O10	C10	doub	1.21Å	1.23Å
C10	N2	sing	1.35Å	1.34Å
N2	C2	sing	1.46Å	1.48Å
C2	C1	sing	1.53Å	1.56Å
C2	C3	sing	1.53Å	1.52Å
O12	C12	doub	1.21Å	1.24Å
O3	C12	sing	1.34Å	1.42Å
O3	C3	sing	1.45Å	1.45Å
C1	O1	sing	1.43Å	1.42Å
C1	O5	sing	1.43Å	1.45Å
C12	C13	sing	1.51Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
O4	C4	sing	1.43Å	1.47Å
O5	C5	sing	1.43Å	1.46Å
C4	C5	sing	1.53Å	1.56Å
C5	C6	sing	1.51Å	1.55Å
C6	O6A	doub	1.21Å	1.26Å
C6	O6B	sing	1.34Å	1.25Å
C11	H1A	sing	1.09Å	1.10Å
C11	H2A	sing	1.09Å	1.10Å
C11	H3A	sing	1.09Å	1.10Å
N2	H4A	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O6B	HO6B	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	O10	120.3°	120.0°
C11	C10	N2	116.9°	120.0°
C10	C11	H1A	109.5°	109.5°
C10	C11	H2A	109.5°	109.5°
C10	C11	H3A	109.5°	109.4°
O10	C10	N2	122.9°	120.0°
C10	N2	C2	119.4°	120.0°
C10	N2	H4A	120.3°	120.0°
N2	C2	C1	111.3°	109.5°
N2	C2	C3	110.0°	109.5°
C2	N2	H4A	120.3°	120.0°
N2	C2	H2	108.3°	109.6°
C1	C2	C3	112.0°	109.1°
C2	C1	O1	110.8°	109.5°
C2	C1	O5	110.4°	109.4°
C1	C2	H2	107.4°	109.5°
C2	C1	H1	107.4°	109.4°
C2	C3	O3	106.7°	109.5°
C2	C3	C4	108.9°	109.1°
C3	C2	H2	107.8°	109.6°
C2	C3	H3	110.1°	109.6°
O12	C12	O3	117.8°	120.0°
O12	C12	C13	118.4°	120.0°
C12	O3	C3	119.7°	117.0°
O3	C12	C13	123.8°	120.0°
O3	C3	C4	109.6°	109.5°
O3	C3	H3	111.2°	109.6°
O1	C1	O5	110.2°	109.5°
O1	C1	H1	109.2°	109.5°
C1	O1	HO1	109.5°	114.0°
C1	O5	C5	113.3°	114.1°
O5	C1	H1	108.7°	109.5°
C12	C13	H6	109.5°	109.5°
C12	C13	H7	109.5°	109.5°
C12	C13	H8	109.5°	109.4°
C3	C4	O4	109.9°	109.5°
C3	C4	C5	108.1°	109.2°
C4	C3	H3	110.1°	109.5°
C3	C4	H4	108.4°	109.5°
O4	C4	C5	113.2°	109.5°
O4	C4	H4	109.1°	109.6°
C4	O4	HO4	109.5°	114.0°
O5	C5	C4	109.7°	109.4°
O5	C5	C6	109.5°	109.5°
O5	C5	H5	109.6°	109.5°
C4	C5	C6	111.2°	109.5°
C5	C4	H4	108.1°	109.5°
C4	C5	H5	108.3°	109.4°
C5	C6	O6A	120.1°	120.0°
C5	C6	O6B	120.1°	120.0°
C6	C5	H5	108.5°	109.5°
O6A	C6	O6B	119.8°	120.0°
C6	O6B	HO6B	109.5°	117.0°
H1A	C11	H2A	109.5°	109.5°
H1A	C11	H3A	109.5°	109.5°
H2A	C11	H3A	109.4°	109.5°
H6	C13	H7	109.4°	109.5°
H6	C13	H8	109.5°	109.5°
H7	C13	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	O10	N2	179.6°	180.0°
C11	C10	N2	C2	178.7°	180.0°
C10	C11	H1A	H2A	120.0°	120.0°
C10	C11	H1A	H3A	120.0°	120.0°
C10	C11	H2A	H3A	120.0°	119.9°
C11	C10	N2	H4A	1.3°	0.0°
O10	C10	N2	C2	1.0°	0.1°
O10	C10	C11	H1A	0.0°	90.0°
O10	C10	C11	H2A	120.0°	30.0°
O10	C10	C11	H3A	120.0°	150.0°
O10	C10	N2	H4A	179.0°	180.0°
C10	N2	C2	H4A	180.0°	180.0°
C10	N2	C2	C1	90.5°	85.0°
C10	N2	C2	C3	144.8°	155.4°
N2	C10	C11	H1A	179.7°	90.0°
N2	C10	C11	H2A	59.6°	150.0°
N2	C10	C11	H3A	60.3°	30.0°
C10	N2	C2	H2	27.3°	35.1°
N2	C2	C1	C3	123.6°	119.9°
N2	C2	C1	H2	118.3°	120.1°
N2	C2	C3	H2	117.8°	120.2°
N2	C2	C3	O3	62.1°	63.2°
N2	C2	C1	O1	53.7°	57.5°
N2	C2	C1	O5	176.1°	177.6°
N2	C2	C3	C4	179.6°	176.9°
N2	C2	C3	H3	58.8°	57.0°
N2	C2	C1	H1	65.5°	62.5°
C1	C2	C3	H2	117.9°	119.9°
C1	C2	C3	O3	173.7°	176.8°
C2	C1	O1	O5	122.4°	120.0°
C2	C1	O1	H1	118.2°	120.0°
C2	C1	O5	H1	117.6°	119.9°
C1	C2	C3	C4	55.4°	57.0°
C2	C1	O5	C5	55.5°	61.2°
C1	C2	N2	H4A	89.5°	95.0°
C1	C2	C3	H3	65.5°	62.9°
C2	C1	O1	HO1	180.0°	180.0°
C2	C3	O3	C12	153.2°	150.0°
C2	C3	O3	C4	117.8°	119.6°
C2	C3	O3	H3	120.1°	120.2°
C3	C2	C1	O1	69.8°	62.4°
C3	C2	C1	O5	52.5°	57.6°
C2	C3	C4	H3	120.9°	119.9°
C2	C3	C4	O4	65.1°	62.9°
C2	C3	C4	C5	58.9°	57.0°
C3	C2	N2	H4A	35.2°	24.7°
C2	C3	C4	H4	175.8°	176.9°
C3	C2	C1	H1	170.9°	177.6°
O12	C12	O3	C13	179.9°	180.0°
O12	C12	O3	C3	173.2°	0.0°
O12	C12	C13	H6	0.0°	0.0°
O12	C12	C13	H7	120.0°	120.0°
O12	C12	C13	H8	120.0°	120.0°
C12	O3	C3	C4	89.0°	90.4°
O3	C12	C13	H6	179.9°	180.0°
O3	C12	C13	H7	59.9°	60.0°
O3	C12	C13	H8	60.1°	60.0°
C12	O3	C3	H3	33.0°	29.8°
C3	O3	C12	C13	6.9°	180.0°
O3	C3	C4	H3	122.7°	120.3°
O3	C3	C4	O4	51.3°	56.9°
O3	C3	C4	C5	175.3°	176.8°
O3	C3	C2	H2	55.8°	57.0°
O3	C3	C4	H4	67.8°	63.3°
O1	C1	O5	H1	119.7°	120.1°
O1	C1	O5	C5	67.2°	58.8°
O1	C1	C2	H2	172.0°	177.7°
C1	O5	C5	C4	61.0°	61.1°
C1	O5	C5	C6	176.6°	178.9°
O5	C1	C2	H2	65.6°	62.3°
C1	O5	C5	H5	57.8°	58.8°
O5	C1	O1	HO1	57.6°	60.0°
C12	C13	H6	H7	120.0°	120.0°
C12	C13	H6	H8	120.0°	120.0°
C12	C13	H7	H8	120.0°	120.0°
C3	C4	O4	C5	120.9°	119.7°
C3	C4	O4	H4	118.7°	120.2°
C3	C4	C5	O5	61.6°	57.6°
C3	C4	C5	H4	117.1°	119.9°
C3	C4	C5	C6	177.1°	177.6°
C4	C3	C2	H2	62.5°	62.9°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	58.0°	62.4°
O4	C4	C5	O5	60.3°	62.3°
O4	C4	C5	H4	120.9°	120.1°
O4	C4	C5	C6	61.0°	57.7°
O4	C4	C3	H3	174.0°	177.2°
O4	C4	C5	H5	179.9°	177.7°
O5	C5	C4	C6	121.3°	120.0°
O5	C5	C4	H5	119.6°	120.0°
O5	C5	C6	H5	119.5°	120.1°
O5	C5	C6	O6A	6.4°	4.9°
O5	C5	C6	O6B	175.2°	175.0°
O5	C5	C4	H4	178.7°	177.5°
C5	O5	C1	H1	173.1°	178.9°
C4	C5	C6	H5	119.0°	120.0°
C4	C5	C6	O6A	127.8°	115.0°
C4	C5	C6	O6B	53.7°	65.0°
C5	C4	C3	H3	62.0°	62.9°
C5	C4	O4	HO4	59.0°	60.3°
C5	C6	O6A	O6B	178.5°	180.0°
C6	C5	C4	H4	60.0°	62.5°
C5	C6	O6B	HO6B	178.4°	179.9°
O6A	C6	C5	H5	113.1°	125.0°
O6A	C6	O6B	HO6B	0.0°	0.0°
O6B	C6	C5	H5	65.3°	55.0°
H1A	C11	H2A	H3A	120.0°	120.0°
H4A	N2	C2	H2	152.7°	144.9°
H2	C2	C3	H3	176.6°	177.2°
H2	C2	C1	H1	52.8°	57.7°
H6	C13	H7	H8	120.0°	120.0°
H3	C3	C4	H4	54.9°	57.0°
H4	C4	O4	HO4	61.3°	59.9°
H4	C4	C5	H5	59.1°	57.5°
H1	C1	O1	HO1	61.8°	60.0°

Release date:	2018-05-02
Definition date:	2018-01-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	6FI2