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Summary Geometry Related PDB entries

KPL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C5	doub	1.21Å	1.24Å
C5	C6	sing	1.49Å	1.47Å
C5	C2	sing	1.51Å	1.52Å
C6	O4	doub	1.21Å	1.25Å
C6	O3	sing	1.35Å	1.25Å
O3	HO3	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.54Å
C2	C1	sing	1.53Å	1.54Å
C2	C4	sing	1.53Å	1.55Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C3	H33	sing	1.09Å	1.11Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C1	H13	sing	1.09Å	1.12Å
C4	O1	sing	1.43Å	1.42Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C5	C6	115.1°	120.0°
O2	C5	C2	117.4°	120.0°
C6	C5	C2	127.5°	120.0°
C5	C6	O4	122.2°	120.0°
C5	C6	O3	115.8°	120.0°
C5	C2	C3	103.3°	109.4°
C5	C2	C1	114.0°	109.4°
C5	C2	C4	109.2°	109.5°
O4	C6	O3	122.0°	120.0°
C6	O3	HO3	115.8°	120.0°
C3	C2	C1	110.9°	109.5°
C3	C2	C4	110.5°	109.5°
C2	C3	H31	103.3°	109.5°
C2	C3	H32	114.5°	109.5°
C2	C3	H33	114.5°	109.5°
C1	C2	C4	108.8°	109.5°
C2	C1	H11	114.0°	109.5°
C2	C1	H12	110.5°	109.5°
C2	C1	H13	110.6°	109.5°
C2	C4	O1	113.6°	109.5°
C2	C4	H41	110.7°	109.5°
C2	C4	H42	110.7°	109.5°
H31	C3	H32	114.6°	109.5°
H31	C3	H33	114.6°	109.5°
H32	C3	H33	95.9°	109.4°
H11	C1	H12	110.6°	109.5°
H11	C1	H13	110.5°	109.5°
H12	C1	H13	99.7°	109.4°
O1	C4	H41	110.6°	109.4°
O1	C4	H42	110.7°	109.4°
C4	O1	HO1	113.6°	106.8°
H41	C4	H42	99.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C5	C6	C2	179.4°	180.0°
O2	C5	C6	O4	155.9°	180.0°
O2	C5	C6	O3	23.9°	0.0°
O2	C5	C2	C3	48.6°	120.0°
O2	C5	C2	C1	169.0°	120.0°
O2	C5	C2	C4	69.0°	0.0°
C5	C6	O4	O3	179.8°	180.0°
C5	C6	O3	HO3	180.0°	180.0°
C6	C5	C2	C3	132.0°	60.0°
C6	C5	C2	C1	11.6°	60.0°
C6	C5	C2	C4	110.4°	180.0°
C2	C5	C6	O4	24.7°	0.0°
C2	C5	C6	O3	155.5°	180.0°
C5	C2	C3	C1	122.5°	120.0°
C5	C2	C3	C4	116.7°	120.0°
C5	C2	C1	C4	122.2°	120.0°
C5	C2	C3	H31	180.0°	60.0°
C5	C2	C3	H32	54.7°	180.0°
C5	C2	C3	H33	54.7°	60.0°
C5	C2	C1	H11	180.0°	60.0°
C5	C2	C1	H12	54.7°	60.0°
C5	C2	C1	H13	54.7°	180.0°
C5	C2	C4	O1	1.9°	180.0°
C5	C2	C4	H41	127.1°	60.0°
C5	C2	C4	H42	123.4°	60.0°
O4	C6	O3	HO3	0.2°	0.0°
C3	C2	C1	C4	121.7°	120.0°
C2	C3	H31	H32	125.3°	120.0°
C2	C3	H31	H33	125.2°	120.0°
C2	C3	H32	H33	120.4°	120.0°
C3	C2	C1	H11	63.9°	180.0°
C3	C2	C1	H12	61.4°	59.9°
C3	C2	C1	H13	170.8°	60.0°
C3	C2	C4	O1	111.1°	60.0°
C3	C2	C4	H41	14.2°	60.0°
C3	C2	C4	H42	123.7°	180.0°
C1	C2	C3	H31	57.5°	180.0°
C1	C2	C3	H32	177.2°	60.0°
C1	C2	C3	H33	67.8°	59.9°
C2	C1	H11	H12	125.3°	120.0°
C2	C1	H11	H13	125.3°	120.0°
C2	C1	H12	H13	116.4°	120.0°
C1	C2	C4	O1	126.9°	60.0°
C1	C2	C4	H41	107.8°	180.0°
C1	C2	C4	H42	1.7°	60.0°
C4	C2	C3	H31	63.3°	60.0°
C4	C2	C3	H32	62.0°	60.0°
C4	C2	C3	H33	171.4°	179.9°
C4	C2	C1	H11	57.8°	60.0°
C4	C2	C1	H12	176.9°	179.9°
C4	C2	C1	H13	67.5°	60.0°
C2	C4	O1	H41	125.3°	120.0°
C2	C4	O1	H42	125.3°	120.0°
C2	C4	H41	H42	116.5°	120.0°
C2	C4	O1	HO1	180.0°	180.0°
H31	C3	H32	H33	120.5°	120.0°
H11	C1	H12	H13	116.4°	120.0°
O1	C4	H41	H42	116.6°	120.0°
H41	C4	O1	HO1	54.7°	60.0°
H42	C4	O1	HO1	54.7°	60.0°

218500

PDB entries from 2024-04-17

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