KDA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1B	sing	1.34Å	1.26Å
C1	O1A	doub	1.21Å	1.26Å
C1	C2	sing	1.51Å	1.54Å
O1B	HO1B	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.54Å
C2	O6	sing	1.43Å	1.47Å
C2	O2	sing	1.43Å	1.46Å
C3	C4	sing	1.53Å	1.54Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C4	O4	sing	1.43Å	1.46Å
C4	C5	sing	1.53Å	1.57Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.11Å
O5	HO5	sing	0.97Å	0.95Å
C6	O6	sing	1.43Å	1.49Å
C6	C7	sing	1.53Å	1.54Å
C6	H6	sing	1.09Å	1.12Å
C7	O7	sing	1.43Å	1.41Å
C7	C8	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.12Å
O7	HO7	sing	0.97Å	0.95Å
C8	O8	sing	1.43Å	1.43Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
O8	HO8	sing	0.97Å	0.95Å
O2	C9	sing	1.43Å	1.45Å
C9	C10	sing	1.51Å	1.51Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
C10	C11	doub	1.31Å	1.33Å
C10	H10	sing	1.08Å	1.10Å
C11	H111	sing	1.08Å	1.10Å
C11	H112	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1B	C1	O1A	122.8°	120.0°
O1B	C1	C2	119.5°	120.0°
C1	O1B	HO1B	122.8°	120.0°
O1A	C1	C2	117.7°	120.0°
C1	C2	C3	106.8°	109.4°
C1	C2	O6	111.1°	109.4°
C1	C2	O2	110.4°	109.4°
C3	C2	O6	108.6°	109.8°
C3	C2	O2	109.6°	109.4°
C2	C3	C4	110.5°	109.0°
C2	C3	H31	111.9°	109.5°
C2	C3	H32	111.8°	109.6°
O6	C2	O2	110.2°	109.4°
C2	O6	C6	113.3°	107.7°
C2	O2	C9	112.5°	106.8°
C4	C3	H31	111.9°	109.6°
C4	C3	H32	111.9°	109.5°
C3	C4	O4	107.5°	109.6°
C3	C4	C5	107.7°	108.6°
C3	C4	H4	112.7°	109.6°
H31	C3	H32	98.5°	109.6°
O4	C4	C5	111.8°	109.7°
O4	C4	H4	108.7°	109.6°
C4	O4	HO4	107.5°	106.8°
C5	C4	H4	108.5°	109.7°
C4	C5	O5	109.1°	109.5°
C4	C5	C6	108.3°	109.0°
C4	C5	H5	110.9°	109.6°
O5	C5	C6	110.6°	109.7°
O5	C5	H5	108.6°	109.5°
C5	O5	HO5	109.1°	106.8°
C6	C5	H5	109.4°	109.4°
C5	C6	O6	107.6°	109.7°
C5	C6	C7	109.6°	109.4°
C5	C6	H6	110.8°	109.4°
O6	C6	C7	110.3°	109.5°
O6	C6	H6	110.2°	109.4°
C7	C6	H6	108.3°	109.4°
C6	C7	O7	107.9°	109.5°
C6	C7	C8	111.7°	109.5°
C6	C7	H7	108.7°	109.5°
O7	C7	C8	108.5°	109.4°
O7	C7	H7	111.9°	109.5°
C7	O7	HO7	107.9°	106.8°
C8	C7	H7	108.2°	109.4°
C7	C8	O8	109.8°	109.5°
C7	C8	H81	112.0°	109.5°
C7	C8	H82	112.0°	109.4°
O8	C8	H81	112.1°	109.5°
O8	C8	H82	112.1°	109.5°
C8	O8	HO8	109.8°	106.8°
H81	C8	H82	98.3°	109.4°
O2	C9	C10	107.0°	109.5°
O2	C9	H91	113.1°	109.5°
O2	C9	H92	113.1°	109.5°
C10	C9	H91	113.2°	109.5°
C10	C9	H92	113.1°	109.4°
C9	C10	C11	124.6°	120.0°
C9	C10	H10	124.3°	119.9°
H91	C9	H92	97.3°	109.5°
C11	C10	H10	111.1°	120.0°
C10	C11	H111	111.1°	120.0°
C10	C11	H112	124.5°	120.0°
H111	C11	H112	124.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1B	C1	O1A	C2	179.6°	179.9°
O1B	C1	C2	C3	117.0°	59.7°
O1B	C1	C2	O6	1.2°	180.0°
O1B	C1	C2	O2	123.8°	60.1°
O1A	C1	O1B	HO1B	179.9°	0.0°
O1A	C1	C2	C3	62.6°	120.3°
O1A	C1	C2	O6	179.2°	0.1°
O1A	C1	C2	O2	56.6°	119.8°
C2	C1	O1B	HO1B	0.4°	179.9°
C1	C2	C3	O6	119.9°	120.1°
C1	C2	C3	O2	119.6°	119.9°
C1	C2	O6	O2	122.7°	119.9°
C1	C2	C3	C4	178.1°	178.7°
C1	C2	C3	H31	56.6°	58.8°
C1	C2	C3	H32	52.8°	61.4°
C1	C2	O6	C6	178.1°	172.4°
C1	C2	O2	C9	58.0°	59.9°
C3	C2	O6	O2	120.1°	120.1°
C2	C3	C4	H31	125.3°	119.8°
C2	C3	C4	H32	125.3°	120.0°
C2	C3	H31	H32	117.7°	120.3°
C2	C3	C4	O4	179.4°	173.7°
C2	C3	C4	C5	58.8°	53.8°
C2	C3	C4	H4	60.9°	66.0°
C3	C2	O6	C6	61.0°	67.6°
C3	C2	O2	C9	175.4°	179.7°
O6	C2	C3	C4	58.2°	61.3°
O6	C2	C3	H31	176.4°	178.9°
O6	C2	C3	H32	67.1°	58.6°
C2	O6	C6	C5	63.0°	67.6°
C2	O6	C6	C7	177.5°	172.3°
C2	O6	C6	H6	58.0°	52.4°
O6	C2	O2	C9	65.1°	60.0°
O2	C2	C3	C4	62.2°	58.8°
O2	C2	C3	H31	63.1°	61.0°
O2	C2	C3	H32	172.4°	178.7°
O2	C2	O6	C6	59.1°	52.5°
C2	O2	C9	C10	170.8°	180.0°
C2	O2	C9	H91	63.8°	60.0°
C2	O2	C9	H92	45.6°	60.0°
C4	C3	H31	H32	117.7°	120.2°
C3	C4	O4	C5	118.0°	119.2°
C3	C4	O4	H4	122.2°	120.4°
C3	C4	C5	H4	122.3°	119.8°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	O5	60.3°	66.3°
C3	C4	C5	C6	60.1°	53.9°
C3	C4	C5	H5	179.9°	173.6°
H31	C3	C4	O4	55.3°	66.5°
H31	C3	C4	C5	175.9°	173.6°
H31	C3	C4	H4	64.5°	53.8°
H32	C3	C4	O4	54.1°	53.7°
H32	C3	C4	C5	66.5°	66.2°
H32	C3	C4	H4	173.8°	174.0°
O4	C4	C5	H4	119.9°	120.4°
O4	C4	C5	O5	57.5°	53.5°
O4	C4	C5	C6	177.9°	173.6°
O4	C4	C5	H5	62.0°	66.6°
C5	C4	O4	HO4	62.0°	179.2°
C4	C5	O5	C6	119.0°	119.7°
C4	C5	O5	H5	120.9°	120.2°
C4	C5	C6	H5	121.0°	119.8°
C4	C5	O5	HO5	180.0°	60.0°
C4	C5	C6	O6	60.8°	61.3°
C4	C5	C6	C7	179.2°	178.5°
C4	C5	C6	H6	59.8°	58.7°
H4	C4	O4	HO4	57.7°	60.3°
H4	C4	C5	O5	177.4°	173.9°
H4	C4	C5	C6	62.2°	66.0°
H4	C4	C5	H5	57.9°	53.8°
O5	C5	C6	H5	119.6°	120.2°
O5	C5	C6	O6	58.6°	58.7°
O5	C5	C6	C7	61.3°	61.5°
O5	C5	C6	H6	179.2°	178.7°
C6	C5	O5	HO5	61.0°	179.7°
C5	C6	O6	C7	119.6°	120.1°
C5	C6	O6	H6	121.0°	120.0°
C5	C6	C7	H6	121.0°	119.9°
C5	C6	C7	O7	69.8°	59.9°
C5	C6	C7	C8	171.0°	179.9°
C5	C6	C7	H7	51.7°	60.1°
H5	C5	O5	HO5	59.1°	60.2°
H5	C5	C6	O6	178.2°	178.9°
H5	C5	C6	C7	58.3°	58.7°
H5	C5	C6	H6	61.2°	61.1°
O6	C6	C7	H6	120.7°	119.8°
O6	C6	C7	O7	171.9°	179.8°
O6	C6	C7	C8	52.7°	59.8°
O6	C6	C7	H7	66.6°	60.2°
C6	C7	O7	C8	121.2°	120.0°
C6	C7	O7	H7	119.6°	120.0°
C6	C7	C8	H7	119.6°	120.0°
C6	C7	O7	HO7	180.0°	60.0°
C6	C7	C8	O8	53.5°	180.0°
C6	C7	C8	H81	178.8°	59.9°
C6	C7	C8	H82	71.8°	60.0°
H6	C6	C7	O7	51.2°	60.0°
H6	C6	C7	C8	68.0°	60.0°
H6	C6	C7	H7	172.8°	180.0°
O7	C7	C8	H7	121.6°	120.0°
O7	C7	C8	O8	65.3°	60.0°
O7	C7	C8	H81	60.0°	180.0°
O7	C7	C8	H82	169.4°	60.0°
C8	C7	O7	HO7	58.9°	60.0°
C7	C8	O8	H81	125.3°	120.0°
C7	C8	O8	H82	125.2°	120.0°
C7	C8	H81	H82	117.9°	119.9°
C7	C8	O8	HO8	180.0°	180.0°
H7	C7	O7	HO7	60.4°	180.0°
H7	C7	C8	O8	173.1°	60.0°
H7	C7	C8	H81	61.6°	60.1°
H7	C7	C8	H82	47.8°	180.0°
O8	C8	H81	H82	118.0°	120.0°
H81	C8	O8	HO8	54.8°	59.9°
H82	C8	O8	HO8	54.7°	60.0°
O2	C9	C10	H91	125.3°	120.0°
O2	C9	C10	H92	125.3°	120.0°
O2	C9	H91	H92	119.0°	120.0°
O2	C9	C10	C11	169.0°	120.0°
O2	C9	C10	H10	11.1°	60.0°
C10	C9	H91	H92	119.1°	120.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	H111	0.0°	180.0°
C9	C10	C11	H112	180.0°	0.0°
H91	C9	C10	C11	43.7°	120.0°
H91	C9	C10	H10	136.3°	60.0°
H92	C9	C10	C11	65.8°	0.0°
H92	C9	C10	H10	114.2°	180.0°
C10	C11	H111	H112	180.0°	179.9°
H10	C10	C11	H111	179.9°	0.0°
H10	C10	C11	H112	0.0°	180.0°

Definition date:	2003-09-15
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1Q9Q