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Summary Geometry Related PDB entries

XDS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	doub	1.22Å	1.22Å
C4	N2	sing	1.34Å	1.41Å
C4	N3	sing	1.34Å	1.40Å
N2	C3	sing	1.36Å	1.36Å
C3	O3	doub	1.21Å	1.22Å
C3	C2	sing	1.51Å	1.52Å
N3	C5	doub	1.29Å	1.28Å
C5	N	sing	1.35Å	1.35Å
C5	C2	sing	1.53Å	1.53Å
N	C	sing	1.47Å	1.46Å
N	C1	sing	1.35Å	1.39Å
C2	O1	sing	1.43Å	1.52Å
C2	N1	sing	1.47Å	1.42Å
O1	O2	sing	1.47Å	1.47Å
N1	C1	sing	1.36Å	1.38Å
C1	O	doub	1.22Å	1.23Å
N2	H2	sing	0.97Å	1.00Å
C	HC1	sing	1.09Å	1.10Å
C	HC2	sing	1.09Å	1.10Å
C	HC3	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å
O2	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	N2	119.5°	117.7°
O4	C4	N3	120.3°	117.8°
N2	C4	N3	120.0°	124.6°
C4	N2	C3	126.7°	121.1°
C4	N2	H2	116.7°	119.4°
C4	N3	C5	115.7°	121.3°
N2	C3	O3	124.2°	122.2°
N2	C3	C2	112.9°	115.5°
C3	N2	H2	116.6°	119.4°
O3	C3	C2	122.7°	122.3°
C3	C2	C5	111.0°	114.9°
C3	C2	O1	94.6°	109.7°
C3	C2	N1	121.6°	110.5°
N3	C5	N	130.9°	140.9°
N3	C5	C2	127.4°	116.6°
N	C5	C2	101.7°	102.4°
C5	N	C	124.1°	125.5°
C5	N	C1	112.1°	109.1°
C5	C2	O1	104.1°	109.8°
C5	C2	N1	108.6°	101.3°
C	N	C1	123.8°	125.5°
N	C	HC1	109.5°	109.4°
N	C	HC2	109.5°	109.5°
N	C	HC3	109.5°	109.5°
N	C1	N1	110.9°	111.9°
N	C1	O	124.3°	124.0°
O1	C2	N1	115.2°	110.4°
C2	O1	O2	113.0°	114.0°
C2	N1	C1	103.9°	104.8°
C2	N1	H1	128.0°	127.6°
O1	O2	H3	109.5°	114.0°
N1	C1	O	124.8°	124.0°
C1	N1	H1	128.0°	127.6°
HC1	C	HC2	109.5°	109.4°
HC1	C	HC3	109.5°	109.4°
HC2	C	HC3	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	N2	N3	174.4°	179.7°
O4	C4	N2	C3	176.3°	166.0°
O4	C4	N3	C5	174.8°	175.0°
O4	C4	N2	H2	3.7°	14.0°
C4	N2	C3	H2	180.0°	180.0°
C4	N2	C3	O3	174.7°	179.8°
C4	N2	C3	C2	10.5°	0.2°
N2	C4	N3	C5	10.8°	4.8°
N3	C4	N2	C3	9.3°	13.7°
C4	N3	C5	N	170.9°	161.6°
C4	N3	C5	C2	8.2°	16.2°
N3	C4	N2	H2	170.7°	166.3°
N2	C3	O3	C2	174.2°	180.0°
N2	C3	C2	C5	25.0°	19.3°
N2	C3	C2	O1	82.0°	105.0°
N2	C3	C2	N1	154.5°	133.1°
O3	C3	C2	C5	160.2°	160.7°
O3	C3	C2	O1	92.8°	75.0°
O3	C3	C2	N1	30.6°	46.9°
O3	C3	N2	H2	5.3°	0.2°
C3	C2	C5	N3	26.7°	27.6°
C3	C2	C5	N	152.6°	150.9°
C3	C2	C5	O1	100.7°	124.2°
C3	C2	C5	N1	136.1°	119.1°
C3	C2	O1	N1	128.3°	122.0°
C3	C2	O1	O2	172.2°	54.3°
C3	C2	N1	C1	146.5°	146.7°
C2	C3	N2	H2	169.4°	179.9°
C3	C2	N1	H1	33.5°	33.5°
N3	C5	N	C2	179.2°	178.0°
N3	C5	N	C	10.1°	30.0°
N3	C5	N	C1	168.8°	150.0°
N3	C5	C2	O1	74.0°	96.6°
N3	C5	C2	N1	162.8°	146.7°
C5	N	C	C1	178.8°	180.0°
N	C5	C2	O1	106.8°	84.8°
N	C5	C2	N1	16.4°	31.9°
C5	N	C1	N1	1.0°	13.1°
C5	N	C1	O	178.1°	166.8°
C5	N	C	HC1	180.0°	90.0°
C5	N	C	HC2	60.0°	150.0°
C5	N	C	HC3	60.0°	29.9°
C2	C5	N	C	170.7°	152.0°
C2	C5	N	C1	10.4°	28.0°
C5	C2	O1	N1	118.8°	110.8°
C5	C2	O1	O2	59.2°	178.5°
C5	C2	N1	C1	16.0°	24.5°
C5	C2	N1	H1	164.1°	155.7°
C	N	C1	N1	179.9°	166.9°
C	N	C1	O	0.9°	13.2°
N	C	HC1	HC2	120.0°	120.0°
N	C	HC1	HC3	120.0°	120.0°
N	C	HC2	HC3	120.0°	120.1°
N	C1	N1	C2	9.7°	9.1°
N	C1	N1	O	179.0°	179.9°
C1	N	C	HC1	1.2°	90.0°
C1	N	C	HC2	121.2°	30.0°
C1	N	C	HC3	118.8°	150.1°
N	C1	N1	H1	170.3°	171.1°
O1	C2	N1	C1	100.3°	91.7°
O1	C2	N1	H1	79.7°	88.1°
C2	O1	O2	H3	180.0°	180.0°
N1	C2	O1	O2	59.5°	67.7°
C2	N1	C1	H1	180.0°	179.8°
C2	N1	C1	O	171.2°	171.0°
O	C1	N1	H1	8.8°	8.8°
HC1	C	HC2	HC3	120.0°	120.0°

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