A1KTY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.47Å
C1	C2	sing	1.53Å	1.54Å
O5	C7	sing	1.41Å	1.53Å
O5	C6	sing	1.44Å	1.49Å
C3	O2	sing	1.43Å	1.42Å
C3	C2	sing	1.51Å	1.55Å
C3	C4	sing	1.51Å	1.54Å
C2	C7	sing	1.51Å	1.54Å
C7	C6	sing	1.52Å	1.51Å
C6	C5	sing	1.52Å	1.53Å
O3	C4	sing	1.43Å	1.47Å
C4	C5	sing	1.51Å	1.52Å
C5	O4	sing	1.43Å	1.46Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O1	H6	sing	0.97Å	0.95Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
O2	H10	sing	0.97Å	0.95Å
O3	H11	sing	0.97Å	0.95Å
O4	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	110.9°	109.5°
C1	O1	H6	109.5°	114.0°
O1	C1	H7	109.1°	109.5°
O1	C1	H8	109.1°	109.4°
C1	C2	C3	111.9°	108.8°
C1	C2	C7	111.2°	108.6°
C2	C1	H7	109.1°	109.5°
C2	C1	H8	109.1°	109.5°
C1	C2	H9	106.6°	108.8°
C7	O5	C6	59.9°	64.5°
O5	C7	C2	112.1°	120.0°
O5	C7	C6	58.8°	58.5°
O5	C7	H4	117.7°	116.2°
O5	C6	C7	61.3°	57.0°
O5	C6	C5	109.7°	116.1°
O5	C6	H3	117.8°	117.4°
O2	C3	C2	107.5°	108.8°
O2	C3	C4	106.7°	110.0°
O2	C3	H5	113.1°	108.8°
C3	O2	H10	109.5°	114.0°
C2	C3	C4	107.0°	113.7°
C3	C2	C7	113.5°	113.2°
C2	C3	H5	111.1°	108.8°
C3	C2	H9	106.5°	108.9°
C3	C4	O3	109.2°	108.7°
C3	C4	C5	113.7°	112.9°
C3	C4	H1	108.8°	108.8°
C4	C3	H5	111.2°	106.7°
C2	C7	C6	119.1°	120.0°
C2	C7	H4	117.4°	114.7°
C7	C2	H9	106.5°	108.6°
C7	C6	C5	120.8°	120.7°
C7	C6	H3	117.4°	117.5°
C6	C7	H4	118.1°	116.0°
C6	C5	C4	112.7°	112.2°
C6	C5	O4	106.0°	108.9°
C6	C5	H2	109.2°	108.9°
C5	C6	H3	117.0°	115.5°
O3	C4	C5	106.3°	108.8°
O3	C4	H1	109.7°	108.7°
C4	O3	H11	109.5°	114.0°
C4	C5	O4	109.3°	108.9°
C5	C4	H1	109.0°	108.8°
C4	C5	H2	109.3°	109.0°
O4	C5	H2	110.2°	108.9°
C5	O4	H12	109.5°	114.0°
H7	C1	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H7	120.2°	120.0°
O1	C1	C2	H8	120.2°	120.0°
O1	C1	C2	C3	66.7°	65.0°
O1	C1	C2	C7	61.5°	171.5°
O1	C1	H7	H8	119.3°	119.9°
O1	C1	C2	H9	177.3°	53.5°
C1	C2	C7	O5	85.1°	70.0°
C1	C2	C3	O2	66.2°	71.3°
C1	C2	C3	C7	126.9°	120.8°
C1	C2	C3	H9	116.2°	118.4°
C1	C2	C3	C4	179.6°	165.8°
C1	C2	C7	H9	115.8°	118.1°
C1	C2	C7	C6	150.6°	138.8°
C1	C2	C7	H4	55.8°	75.7°
C1	C2	C3	H5	58.1°	47.0°
C2	C1	O1	H6	180.0°	180.0°
C2	C1	H7	H8	119.4°	120.0°
O5	C7	C2	C3	42.2°	50.9°
O5	C7	C2	C6	65.5°	68.7°
O5	C7	C2	H4	140.9°	145.7°
O5	C7	C6	H4	107.0°	106.1°
C7	O5	C6	C5	115.1°	111.0°
C7	O5	C6	H3	107.8°	106.4°
O5	C7	C2	H9	159.1°	171.9°
O5	C6	C5	H3	137.5°	143.3°
O5	C6	C5	C4	81.0°	85.3°
O5	C6	C5	O4	159.4°	154.0°
O5	C6	C5	H2	40.7°	35.4°
O2	C3	C2	C4	114.3°	122.9°
O2	C3	C2	H5	124.3°	118.4°
O2	C3	C4	H5	123.7°	117.8°
O2	C3	C2	C7	166.9°	167.9°
O2	C3	C4	O3	60.1°	55.2°
O2	C3	C4	C5	178.7°	176.1°
O2	C3	C4	H1	59.6°	63.0°
O2	C3	C2	H9	50.0°	47.1°
C2	C3	C4	H5	121.4°	119.9°
C3	C2	C7	H9	116.9°	121.0°
C3	C2	C7	C6	23.4°	17.8°
C2	C3	C4	O3	175.0°	177.5°
C2	C3	C4	C5	66.5°	61.7°
C2	C3	C4	H1	55.3°	59.2°
C3	C2	C7	H4	177.0°	163.4°
C3	C2	C1	H7	53.6°	175.0°
C3	C2	C1	H8	173.1°	55.0°
C2	C3	O2	H10	180.0°	180.0°
C4	C3	C2	C7	52.6°	45.0°
C3	C4	C5	C6	46.2°	46.5°
C3	C4	O3	C5	123.1°	123.3°
C3	C4	O3	H1	119.2°	118.3°
C3	C4	C5	H1	121.6°	120.9°
C3	C4	C5	O4	163.8°	167.2°
C3	C4	C5	H2	75.4°	74.1°
C4	C3	C2	H9	64.3°	75.8°
C4	C3	O2	H10	65.5°	54.9°
C3	C4	O3	H11	180.0°	176.7°
C2	C7	C6	H4	153.4°	145.1°
C2	C7	C6	C5	2.7°	5.9°
C2	C7	C6	H3	152.1°	144.8°
C7	C2	C3	H5	68.8°	73.7°
C7	C2	C1	H7	178.3°	51.4°
C7	C2	C1	H8	58.7°	68.6°
C7	C6	C5	H3	154.9°	151.3°
C7	C6	C5	C4	13.4°	19.8°
C7	C6	C5	O4	133.0°	140.5°
C7	C6	C5	H2	108.3°	100.9°
C6	C7	C2	H9	93.5°	103.1°
C6	C5	C4	O3	166.4°	167.3°
C6	C5	C4	O4	117.6°	120.7°
C6	C5	C4	H2	121.7°	120.6°
C6	C5	O4	H2	118.1°	118.6°
C6	C5	C4	H1	75.4°	74.4°
C5	C6	C7	H4	156.1°	151.0°
C6	C5	O4	H12	180.0°	177.3°
O3	C4	C5	H1	118.2°	118.3°
O3	C4	C5	O4	76.0°	72.0°
O3	C4	C5	H2	44.8°	46.6°
O3	C4	C3	H5	63.6°	62.6°
C4	C5	O4	H2	120.2°	118.7°
C4	C5	C6	H3	141.4°	131.4°
C5	C4	C3	H5	54.9°	58.2°
C5	C4	O3	H11	56.9°	60.0°
C4	C5	O4	H12	58.2°	60.0°
O4	C5	C4	H1	42.2°	46.3°
O4	C5	C6	H3	21.9°	10.7°
H1	C4	C5	H2	162.9°	165.0°
H1	C4	C3	H5	176.7°	179.2°
H1	C4	O3	H11	60.8°	58.4°
H2	C5	C6	H3	96.8°	107.9°
H2	C5	O4	H12	61.9°	58.7°
H3	C6	C7	H4	1.3°	0.3°
H4	C7	C2	H9	60.1°	42.4°
H5	C3	C2	H9	174.3°	165.4°
H5	C3	O2	H10	57.0°	61.6°
H6	O1	C1	H7	59.8°	60.0°
H6	O1	C1	H8	59.8°	60.0°
H7	C1	C2	H9	62.5°	66.5°
H8	C1	C2	H9	57.0°	173.5°

Release date:	2026-10-28
Definition date:	2026-09-29
Last modified:	2026-10-23
Release status:	REL
Processing site:	PDBE
Derived from:	34SN