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Summary Geometry Related PDB entries

1AE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.52Å	1.53Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.10Å	1.10Å
C2	H22	sing	1.10Å	1.10Å
C3	C4	sing	1.52Å	1.54Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
C4	C5	sing	1.50Å	1.55Å
C4	O4	doub	1.23Å	1.24Å
C5	C6	doub	1.34Å	1.53Å
C5	O5	sing	1.38Å	1.36Å
O5	HO5	sing	0.96Å	0.95Å
C6	O7	sing	1.37Å	1.37Å
C6	H62	sing	1.08Å	1.08Å
O7	P	sing	1.61Å	1.62Å
P	O9	doub	1.50Å	1.61Å
P	O8	sing	1.62Å	1.48Å
P	O10	sing	1.62Å	1.60Å
O8	HO8	sing	0.98Å	0.95Å
O10	HO10	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	109.5°	110.2°
C2	C1	H12	109.4°	111.0°
C2	C1	H13	109.5°	111.0°
C1	C2	C3	110.8°	111.6°
C1	C2	H21	109.0°	109.2°
C1	C2	H22	108.7°	109.2°
H11	C1	H12	109.5°	108.1°
H11	C1	H13	109.4°	108.2°
H12	C1	H13	109.5°	108.3°
C3	C2	H21	109.0°	109.9°
C3	C2	H22	108.7°	110.0°
C2	C3	C4	112.5°	112.3°
C2	C3	H31	108.5°	109.2°
C2	C3	H32	107.8°	109.2°
H21	C2	H22	110.5°	106.8°
C4	C3	H31	108.5°	108.4°
C4	C3	H32	107.8°	108.5°
C3	C4	C5	121.4°	119.3°
C3	C4	O4	120.9°	121.9°
H31	C3	H32	111.8°	109.3°
C5	C4	O4	117.7°	118.8°
C4	C5	C6	122.4°	122.1°
C4	C5	O5	120.1°	116.0°
C6	C5	O5	117.5°	122.0°
C5	C6	O7	126.0°	122.9°
C5	C6	H62	117.0°	125.8°
C5	O5	HO5	109.5°	109.7°
O7	C6	H62	117.0°	111.3°
C6	O7	P	121.7°	122.8°
O7	P	O9	107.3°	116.3°
O7	P	O8	109.6°	104.3°
O7	P	O10	109.3°	102.8°
O9	P	O8	111.7°	114.7°
O9	P	O10	107.9°	114.3°
O8	P	O10	110.9°	102.8°
P	O8	HO8	109.5°	118.9°
P	O10	HO10	109.5°	118.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	120.0°	121.5°
C2	C1	H11	H13	120.0°	121.5°
C2	C1	H12	H13	120.0°	122.0°
C1	C2	C3	H21	120.0°	121.3°
C1	C2	C3	H22	119.4°	121.4°
C1	C2	H21	H22	119.4°	118.0°
C1	C2	C3	C4	178.0°	178.7°
C1	C2	C3	H31	57.9°	58.4°
C1	C2	C3	H32	63.3°	61.0°
H11	C1	H12	H13	120.0°	116.9°
H11	C1	C2	C3	59.0°	179.7°
H11	C1	C2	H21	179.0°	58.0°
H11	C1	C2	H22	60.4°	58.5°
H12	C1	C2	C3	179.0°	59.9°
H12	C1	C2	H21	61.0°	61.8°
H12	C1	C2	H22	59.6°	178.2°
H13	C1	C2	C3	61.0°	60.5°
H13	C1	C2	H21	59.0°	177.8°
H13	C1	C2	H22	179.6°	61.3°
C3	C2	H21	H22	119.5°	119.3°
C2	C3	C4	H31	120.0°	120.7°
C2	C3	C4	H32	118.7°	120.7°
C2	C3	H31	H32	118.8°	119.3°
C2	C3	C4	C5	147.6°	179.2°
C2	C3	C4	O4	32.4°	0.7°
H21	C2	C3	C4	62.1°	60.0°
H21	C2	C3	H31	177.9°	179.7°
H21	C2	C3	H32	56.7°	60.3°
H22	C2	C3	C4	58.5°	57.3°
H22	C2	C3	H31	61.5°	63.0°
H22	C2	C3	H32	177.2°	177.6°
C4	C3	H31	H32	118.8°	118.1°
C3	C4	C5	O4	180.0°	179.9°
C3	C4	C5	C6	3.8°	0.1°
C3	C4	C5	O5	176.2°	180.0°
H31	C3	C4	C5	92.4°	60.1°
H31	C3	C4	O4	87.6°	120.0°
H32	C3	C4	C5	28.9°	58.5°
H32	C3	C4	O4	151.1°	121.4°
C4	C5	C6	O5	180.0°	179.9°
C4	C5	O5	HO5	91.4°	40.9°
C4	C5	C6	O7	173.9°	180.0°
C4	C5	C6	H62	6.1°	0.2°
O4	C4	C5	C6	176.1°	179.9°
O4	C4	C5	O5	3.8°	0.0°
C6	C5	O5	HO5	88.6°	139.2°
C5	C6	O7	H62	180.0°	179.9°
C5	C6	O7	P	175.9°	179.9°
O5	C5	C6	O7	6.1°	0.1°
O5	C5	C6	H62	173.9°	179.9°
C6	O7	P	O9	76.4°	60.0°
C6	O7	P	O8	162.1°	67.4°
C6	O7	P	O10	40.4°	174.3°
H62	C6	O7	P	4.0°	0.1°
O7	P	O9	O8	120.1°	122.1°
O7	P	O9	O10	117.7°	119.6°
O7	P	O8	O10	120.8°	107.0°
O7	P	O8	HO8	46.5°	79.5°
O7	P	O10	HO10	56.5°	79.3°
O9	P	O8	O10	120.4°	124.7°
O9	P	O8	HO8	165.3°	48.8°
O9	P	O10	HO10	172.9°	47.7°
O8	P	O10	HO10	64.4°	172.6°
O10	P	O8	HO8	74.3°	173.5°

222415

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