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Summary Geometry Related PDB entries

MY0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	N5	sing	1.37Å	1.40Å
N	H	sing	1.01Å	1.00Å
N5	C4	sing	1.35Å	1.40Å
O	C	doub	1.21Å	1.23Å
O7	C6	sing	1.34Å	1.35Å
O7	HO7	sing	0.97Å	0.95Å
O8	C6	doub	1.21Å	1.23Å
O2	C2	sing	1.43Å	1.43Å
O2	HO2	sing	0.97Å	0.95Å
C3	C4	sing	1.51Å	1.53Å
C3	C2	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C5	N5	sing	1.46Å	1.47Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C4	O4	doub	1.21Å	1.24Å
C6	C5	sing	1.51Å	1.52Å
C2	C	sing	1.51Å	1.54Å
C2	H20	sing	1.09Å	1.10Å
N	H2	sing	1.01Å	1.00Å
C	OXT	sing	1.34Å	1.43Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	N	H	109.5°	111.0°
N	N5	C4	122.3°	120.0°
N	N5	C5	114.8°	120.0°
N5	N	H2	109.5°	111.1°
H	N	H2	109.5°	111.0°
N5	C4	C3	117.0°	120.0°
C4	N5	C5	122.9°	120.0°
N5	C4	O4	121.2°	120.0°
O	C	C2	124.3°	120.1°
O	C	OXT	105.8°	120.0°
C6	O7	HO7	109.5°	117.0°
O7	C6	O8	120.3°	120.0°
O7	C6	C5	112.5°	120.0°
O8	C6	C5	127.2°	120.0°
C2	O2	HO2	109.5°	114.0°
O2	C2	C3	107.8°	109.5°
O2	C2	C	109.0°	109.4°
O2	C2	H20	112.2°	109.4°
C4	C3	C2	113.4°	109.5°
C4	C3	H3	108.2°	109.5°
C4	C3	H3A	108.2°	109.5°
C3	C4	O4	121.8°	120.0°
C2	C3	H3	108.2°	109.5°
C2	C3	H3A	108.2°	109.4°
C3	C2	C	113.1°	109.5°
C3	C2	H20	108.0°	109.5°
H3	C3	H3A	110.7°	109.4°
N5	C5	H5	109.0°	109.5°
N5	C5	H5A	108.9°	109.4°
N5	C5	C6	111.0°	109.5°
H5	C5	H5A	110.0°	109.4°
H5	C5	C6	109.0°	109.5°
H5A	C5	C6	109.0°	109.4°
C	C2	H20	106.8°	109.5°
C2	C	OXT	129.9°	120.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	N	H	H2	120.0°	124.0°
N	N5	C4	C5	179.7°	180.0°
N	N5	C4	C3	0.6°	0.0°
N	N5	C5	H5	40.3°	30.1°
N	N5	C5	H5A	160.2°	150.0°
N	N5	C4	O4	179.6°	180.0°
N	N5	C5	C6	79.7°	90.0°
H	N	N5	C4	180.0°	180.0°
H	N	N5	C5	0.3°	0.1°
N5	C4	C3	O4	179.0°	180.0°
N5	C4	C3	C2	178.7°	180.0°
N5	C4	C3	H3	61.3°	60.0°
N5	C4	C3	H3A	58.7°	60.0°
C4	N5	C5	H5	139.4°	150.0°
C4	N5	C5	H5A	19.5°	30.0°
C4	N5	C5	C6	100.6°	90.0°
C4	N5	N	H2	60.0°	56.0°
O	C	C2	O2	72.1°	5.0°
O	C	C2	C3	47.8°	115.0°
O	C	C2	OXT	180.0°	180.0°
O	C	C2	H20	166.5°	125.0°
O	C	OXT	HXT	0.0°	0.1°
O7	C6	O8	C5	180.0°	180.0°
O7	C6	C5	N5	161.8°	180.0°
O7	C6	C5	H5	41.7°	59.9°
O7	C6	C5	H5A	78.3°	60.0°
HO7	O7	C6	O8	0.0°	0.0°
HO7	O7	C6	C5	180.0°	180.0°
O8	C6	C5	N5	18.3°	0.0°
O8	C6	C5	H5	138.3°	120.1°
O8	C6	C5	H5A	101.7°	120.0°
O2	C2	C3	C4	83.3°	65.0°
O2	C2	C3	C	120.6°	120.0°
O2	C2	C3	H20	121.4°	120.0°
O2	C2	C3	H3	156.7°	175.0°
O2	C2	C3	H3A	36.7°	55.1°
O2	C2	C	H20	121.4°	120.0°
O2	C2	C	OXT	107.9°	174.9°
HO2	O2	C2	C3	180.0°	60.0°
HO2	O2	C2	C	56.8°	60.0°
HO2	O2	C2	H20	61.2°	180.0°
C4	C3	C2	H3	120.0°	120.1°
C4	C3	C2	H3A	120.0°	120.0°
C4	C3	H3	H3A	118.4°	120.0°
C3	C4	N5	C5	179.1°	180.0°
C4	C3	C2	C	156.1°	175.0°
C4	C3	C2	H20	38.1°	55.0°
C2	C3	H3	H3A	118.4°	119.9°
C2	C3	C4	O4	2.3°	0.0°
C3	C2	C	H20	118.6°	120.0°
C3	C2	C	OXT	132.2°	65.0°
H3	C3	C4	O4	117.8°	120.0°
H3	C3	C2	C	36.1°	55.0°
H3	C3	C2	H20	81.9°	65.1°
H3A	C3	C4	O4	122.2°	120.0°
H3A	C3	C2	C	83.9°	64.9°
H3A	C3	C2	H20	158.1°	175.0°
N5	C5	H5	H5A	119.3°	120.0°
N5	C5	H5	C6	121.3°	120.1°
N5	C5	H5A	C6	121.3°	120.0°
C5	N5	C4	O4	0.0°	0.0°
C5	N5	N	H2	120.3°	123.9°
H5	C5	H5A	C6	119.4°	120.0°
C2	C	OXT	HXT	180.0°	180.0°
H20	C2	C	OXT	13.5°	55.0°

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