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Summary Geometry Related PDB entries

5XA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.47Å	1.45Å
C2	C3	sing	1.53Å	1.51Å
C3	C4	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.51Å	1.49Å
N7	C6	sing	1.35Å	1.31Å
N7	O8	sing	1.42Å	1.39Å
C6	O9	doub	1.21Å	1.24Å
O8	H1	sing	0.97Å	0.95Å
N7	H2	sing	0.97Å	1.00Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
N1	H11	sing	1.01Å	1.00Å
N1	H12	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	C3	107.8°	109.5°
N1	C2	H9	109.9°	109.5°
N1	C2	H10	109.9°	109.5°
C2	N1	H11	109.5°	111.0°
C2	N1	H12	109.5°	111.0°
C2	C3	C4	111.5°	109.5°
C2	C3	H7	109.0°	109.4°
C2	C3	H8	109.0°	109.4°
C3	C2	H9	109.9°	109.5°
C3	C2	H10	109.9°	109.4°
C3	C4	C5	106.3°	109.5°
C3	C4	H5	110.2°	109.5°
C3	C4	H6	110.3°	109.5°
C4	C3	H7	109.0°	109.5°
C4	C3	H8	109.0°	109.5°
C4	C5	C6	114.6°	109.4°
C4	C5	H3	108.2°	109.5°
C4	C5	H4	108.1°	109.5°
C5	C4	H5	110.2°	109.5°
C5	C4	H6	110.3°	109.5°
C5	C6	N7	115.2°	120.0°
C5	C6	O9	124.4°	120.0°
C6	C5	H3	108.2°	109.5°
C6	C5	H4	108.2°	109.4°
C6	N7	O8	113.6°	120.0°
N7	C6	O9	120.3°	120.0°
C6	N7	H2	123.2°	120.0°
N7	O8	H1	109.5°	114.0°
O8	N7	H2	123.2°	120.0°
H3	C5	H4	109.5°	109.5°
H5	C4	H6	109.5°	109.5°
H7	C3	H8	109.5°	109.5°
H9	C2	H10	109.5°	109.4°
H11	N1	H12	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	H9	119.7°	120.0°
N1	C2	C3	H10	119.7°	120.0°
N1	C2	C3	C4	166.2°	180.0°
N1	C2	C3	H7	73.6°	60.0°
N1	C2	C3	H8	45.9°	60.0°
N1	C2	H9	H10	120.7°	120.0°
C2	N1	H11	H12	120.0°	123.9°
C2	C3	C4	H7	120.3°	120.0°
C2	C3	C4	H8	120.3°	120.0°
C2	C3	C4	C5	167.4°	180.0°
C2	C3	C4	H5	48.0°	60.0°
C2	C3	C4	H6	73.0°	60.0°
C2	C3	H7	H8	119.1°	119.9°
C3	C2	H9	H10	120.8°	119.9°
C3	C2	N1	H11	180.0°	180.0°
C3	C2	N1	H12	60.0°	56.1°
C3	C4	C5	H5	119.5°	120.0°
C3	C4	C5	H6	119.5°	120.0°
C3	C4	C5	C6	170.7°	180.0°
C3	C4	C5	H3	50.0°	60.0°
C3	C4	C5	H4	68.5°	60.0°
C3	C4	H5	H6	121.4°	120.0°
C4	C3	H7	H8	119.1°	120.0°
C4	C3	C2	H9	46.4°	60.0°
C4	C3	C2	H10	74.1°	59.9°
C4	C5	C6	H3	120.8°	120.0°
C4	C5	C6	H4	120.7°	120.0°
C4	C5	C6	N7	81.4°	180.0°
C4	C5	C6	O9	101.4°	0.0°
C4	C5	H3	H4	117.6°	120.0°
C5	C4	H5	H6	121.5°	120.0°
C5	C4	C3	H7	72.3°	60.0°
C5	C4	C3	H8	47.1°	60.0°
C5	C6	N7	O9	177.4°	180.0°
C5	C6	N7	O8	178.0°	180.0°
C5	C6	N7	H2	2.0°	0.0°
C6	C5	H3	H4	117.7°	120.0°
C6	C5	C4	H5	69.8°	60.0°
C6	C5	C4	H6	51.2°	60.0°
C6	N7	O8	H2	180.0°	179.9°
C6	N7	O8	H1	0.3°	180.0°
N7	C6	C5	H3	39.4°	60.0°
N7	C6	C5	H4	157.9°	60.0°
O8	N7	C6	O9	0.7°	0.0°
O9	C6	N7	H2	179.4°	179.9°
O9	C6	C5	H3	137.9°	120.0°
O9	C6	C5	H4	19.4°	120.0°
H1	O8	N7	H2	179.7°	0.1°
H3	C5	C4	H5	169.5°	180.0°
H3	C5	C4	H6	69.5°	60.0°
H4	C5	C4	H5	51.0°	59.9°
H4	C5	C4	H6	172.0°	179.9°
H5	C4	C3	H7	168.2°	180.0°
H5	C4	C3	H8	72.3°	60.0°
H6	C4	C3	H7	47.3°	60.0°
H6	C4	C3	H8	166.7°	180.0°
H7	C3	C2	H9	166.7°	180.0°
H7	C3	C2	H10	46.2°	60.0°
H8	C3	C2	H9	73.9°	60.1°
H8	C3	C2	H10	165.6°	180.0°
H9	C2	N1	H11	60.2°	60.0°
H9	C2	N1	H12	59.8°	176.1°
H10	C2	N1	H11	60.3°	60.0°
H10	C2	N1	H12	179.7°	63.9°

221716

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