4KY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	doub	1.31Å	1.52Å
C13	C14	sing	1.51Å	1.52Å
C14	C15	sing	1.53Å	1.52Å
C15	C16	sing	1.53Å	1.52Å
C16	C17	sing	1.53Å	1.53Å
C17	C18	sing	1.53Å	1.53Å
C18	C19	sing	1.53Å	1.51Å
C19	O5	sing	1.43Å	1.43Å
C	O	doub	1.21Å	1.23Å
C	CA	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.47Å
CA	CB	sing	1.54Å	1.53Å
CB	CG	sing	1.55Å	1.52Å
CG	CD	sing	1.55Å	1.53Å
CG	O5	sing	1.43Å	1.43Å
CD	N	sing	1.47Å	1.47Å
N	C43	sing	1.35Å	1.34Å
C43	C44	sing	1.51Å	1.48Å
C43	O6	doub	1.21Å	1.25Å
C13	H24	sing	1.08Å	1.08Å
C14	H26	sing	1.09Å	1.10Å
C14	H27	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C15	H28	sing	1.09Å	1.10Å
C16	H31	sing	1.09Å	1.10Å
C16	H30	sing	1.09Å	1.10Å
C17	H32	sing	1.09Å	1.10Å
C17	H33	sing	1.09Å	1.10Å
C18	H34	sing	1.09Å	1.10Å
C18	H35	sing	1.09Å	1.10Å
C19	H36	sing	1.09Å	1.10Å
C19	H37	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CD	HD3	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
C44	H73	sing	1.09Å	1.10Å
C44	H71	sing	1.09Å	1.10Å
C44	H72	sing	1.09Å	1.10Å
C12	H22	sing	1.08Å	1.08Å
C12	H23	sing	1.08Å	1.08Å
C	OXT	sing	1.34Å	1.34Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	112.5°	120.0°
C12	C13	H24	123.7°	120.1°
C13	C12	H22	120.0°	120.0°
C13	C12	H23	120.0°	119.9°
C13	C14	C15	114.3°	109.4°
C14	C13	H24	123.8°	120.0°
C13	C14	H26	108.2°	109.5°
C13	C14	H27	108.2°	109.5°
C14	C15	C16	115.2°	109.4°
C15	C14	H26	108.2°	109.4°
C15	C14	H27	108.2°	109.5°
C14	C15	H29	108.0°	109.4°
C14	C15	H28	108.0°	109.5°
C15	C16	C17	113.6°	109.4°
C16	C15	H29	108.0°	109.5°
C16	C15	H28	108.0°	109.5°
C15	C16	H31	108.4°	109.4°
C15	C16	H30	108.4°	109.5°
C16	C17	C18	115.7°	109.5°
C17	C16	H31	108.4°	109.5°
C17	C16	H30	108.4°	109.5°
C16	C17	H32	107.9°	109.4°
C16	C17	H33	107.9°	109.5°
C17	C18	C19	116.0°	109.5°
C18	C17	H32	107.9°	109.5°
C18	C17	H33	107.9°	109.5°
C17	C18	H34	107.8°	109.5°
C17	C18	H35	107.8°	109.5°
C18	C19	O5	109.5°	109.5°
C19	C18	H34	107.8°	109.5°
C19	C18	H35	107.8°	109.5°
C18	C19	H36	109.5°	109.4°
C18	C19	H37	109.4°	109.5°
C19	O5	CG	116.5°	114.0°
O5	C19	H36	109.5°	109.5°
O5	C19	H37	109.5°	109.5°
O	C	CA	121.4°	119.9°
O	C	OXT	123.3°	120.0°
C	CA	N	115.6°	109.9°
C	CA	CB	109.2°	109.9°
C	CA	HA	109.3°	109.8°
CA	C	OXT	115.2°	120.0°
N	CA	CB	103.1°	107.3°
CA	N	CD	112.2°	108.7°
CA	N	C43	124.0°	125.6°
N	CA	HA	110.1°	110.0°
CA	CB	CG	102.5°	102.9°
CB	CA	HA	109.2°	110.0°
CA	CB	HB3	111.2°	110.7°
CA	CB	HB2	111.2°	110.7°
CB	CG	CD	103.5°	101.6°
CB	CG	O5	109.3°	111.0°
CG	CB	HB3	111.2°	110.7°
CG	CB	HB2	111.2°	110.7°
CB	CG	HG2	111.5°	111.0°
CD	CG	O5	107.4°	111.0°
CG	CD	N	102.3°	104.9°
CD	CG	HG2	111.5°	111.0°
CG	CD	HD3	111.2°	110.4°
CG	CD	HD2	111.2°	110.4°
O5	CG	HG2	113.0°	110.9°
CD	N	C43	123.7°	125.7°
N	CD	HD3	111.2°	110.4°
N	CD	HD2	111.2°	110.4°
N	C43	C44	117.1°	120.0°
N	C43	O6	120.4°	120.0°
C44	C43	O6	122.4°	120.0°
C43	C44	H73	109.5°	109.5°
C43	C44	H71	109.5°	109.5°
C43	C44	H72	109.5°	109.5°
H26	C14	H27	109.5°	109.5°
H29	C15	H28	109.5°	109.5°
H31	C16	H30	109.5°	109.5°
H32	C17	H33	109.5°	109.5°
H34	C18	H35	109.4°	109.4°
H36	C19	H37	109.5°	109.5°
HB3	CB	HB2	109.5°	110.8°
HD3	CD	HD2	109.5°	110.4°
H73	C44	H71	109.4°	109.5°
H73	C44	H72	109.5°	109.4°
H71	C44	H72	109.5°	109.4°
H22	C12	H23	120.0°	120.0°
C	OXT	HXT	109.5°	116.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H24	180.0°	179.7°
C12	C13	C14	C15	178.2°	125.0°
C12	C13	C14	H26	61.1°	115.0°
C12	C13	C14	H27	57.4°	5.1°
C13	C12	H22	H23	180.0°	179.9°
C13	C14	C15	H26	120.7°	120.0°
C13	C14	C15	H27	120.7°	120.0°
C13	C14	C15	C16	69.1°	180.0°
C13	C14	H26	H27	117.8°	120.1°
C13	C14	C15	H29	51.7°	60.0°
C13	C14	C15	H28	170.1°	60.0°
C14	C13	C12	H22	180.0°	0.1°
C14	C13	C12	H23	0.0°	180.0°
C14	C15	C16	H29	120.8°	120.0°
C14	C15	C16	H28	120.8°	120.0°
C14	C15	C16	C17	176.6°	180.0°
C15	C14	C13	H24	1.8°	55.3°
C15	C14	H26	H27	117.8°	120.0°
C14	C15	H29	H28	117.4°	120.0°
C14	C15	C16	H31	56.1°	60.0°
C14	C15	C16	H30	62.8°	60.0°
C15	C16	C17	H31	120.6°	120.0°
C15	C16	C17	H30	120.6°	120.0°
C15	C16	C17	C18	170.8°	180.0°
C16	C15	C14	H26	170.2°	60.0°
C16	C15	C14	H27	51.6°	60.0°
C16	C15	H29	H28	117.4°	120.0°
C15	C16	H31	H30	118.1°	120.0°
C15	C16	C17	H32	68.3°	60.0°
C15	C16	C17	H33	49.9°	59.9°
C16	C17	C18	H32	120.9°	120.0°
C16	C17	C18	H33	120.9°	120.0°
C16	C17	C18	C19	62.7°	180.0°
C17	C16	C15	H29	62.5°	60.0°
C17	C16	C15	H28	55.8°	60.0°
C17	C16	H31	H30	118.1°	120.1°
C16	C17	H32	H33	117.1°	120.0°
C16	C17	C18	H34	58.3°	60.0°
C16	C17	C18	H35	176.4°	60.0°
C17	C18	C19	H34	121.0°	120.0°
C17	C18	C19	H35	121.0°	120.0°
C17	C18	C19	O5	56.8°	180.0°
C18	C17	C16	H31	50.2°	60.0°
C18	C17	C16	H30	68.6°	60.0°
C18	C17	H32	H33	117.2°	120.0°
C17	C18	H34	H35	117.0°	120.0°
C17	C18	C19	H36	63.2°	60.0°
C17	C18	C19	H37	176.8°	60.0°
C18	C19	O5	H36	120.0°	120.0°
C18	C19	O5	H37	120.0°	120.1°
C18	C19	O5	CG	146.6°	180.0°
C19	C18	C17	H32	176.4°	60.0°
C19	C18	C17	H33	58.2°	60.0°
C19	C18	H34	H35	117.0°	120.0°
C18	C19	H36	H37	119.9°	120.0°
C19	O5	CG	CB	84.7°	150.0°
C19	O5	CG	CD	163.6°	97.8°
O5	C19	C18	H34	177.8°	60.0°
O5	C19	C18	H35	64.2°	60.0°
O5	C19	H36	H37	120.0°	120.0°
C19	O5	CG	HG2	40.1°	26.1°
O	C	CA	OXT	179.6°	180.0°
O	C	CA	N	23.5°	18.5°
O	C	CA	CB	92.1°	99.3°
O	C	CA	HA	148.4°	139.6°
O	C	OXT	HXT	0.0°	0.0°
C	CA	N	CB	119.1°	119.4°
C	CA	N	HA	124.5°	121.0°
C	CA	CB	HA	119.5°	121.0°
C	CA	CB	CG	91.8°	141.6°
C	CA	N	CD	107.9°	118.4°
C	CA	N	C43	70.1°	61.7°
C	CA	CB	HB3	27.1°	23.3°
C	CA	CB	HB2	149.4°	100.0°
CA	C	OXT	HXT	179.6°	180.0°
N	CA	CB	HA	117.0°	119.6°
N	CA	CB	CG	31.7°	22.2°
CA	N	CD	CG	13.9°	24.1°
CA	N	CD	C43	178.0°	179.9°
CA	N	C43	C44	2.8°	180.0°
CA	N	C43	O6	172.2°	0.1°
N	CA	CB	HB3	150.5°	96.2°
N	CA	CB	HB2	87.2°	140.6°
CA	N	CD	HD3	132.8°	94.8°
CA	N	CD	HD2	104.9°	143.0°
N	CA	C	OXT	156.1°	161.5°
CA	CB	CG	HB3	118.9°	118.3°
CA	CB	CG	HB2	118.9°	118.4°
CA	CB	CG	CD	40.8°	35.5°
CA	CB	CG	O5	155.1°	82.6°
CB	CA	N	CD	11.2°	1.0°
CB	CA	N	C43	170.8°	178.9°
CA	CB	HB3	HB2	123.3°	123.3°
CA	CB	CG	HG2	79.2°	153.6°
CB	CA	C	OXT	88.2°	80.7°
CB	CG	CD	O5	115.6°	118.1°
CB	CG	CD	HG2	120.0°	118.1°
CB	CG	O5	HG2	124.9°	123.9°
CB	CG	CD	N	33.6°	37.0°
CG	CB	CA	HA	148.7°	97.3°
CG	CB	HB3	HB2	123.3°	123.2°
CB	CG	CD	HD3	152.4°	81.9°
CB	CG	CD	HD2	85.3°	155.9°
CD	CG	O5	HG2	123.4°	123.9°
CG	CD	N	HD3	118.9°	118.9°
CG	CD	N	HD2	118.8°	118.9°
CG	CD	N	C43	164.1°	155.8°
CD	CG	CB	HB3	159.7°	82.8°
CD	CG	CB	HB2	78.0°	153.9°
CG	CD	HD3	HD2	123.3°	122.3°
O5	CG	CD	N	149.2°	81.1°
CG	O5	C19	H36	26.6°	60.0°
CG	O5	C19	H37	93.4°	60.0°
O5	CG	CB	HB3	86.0°	159.1°
O5	CG	CB	HB2	36.3°	35.8°
O5	CG	CD	HD3	92.0°	160.1°
O5	CG	CD	HD2	30.3°	37.8°
CD	N	C43	C44	175.0°	0.1°
CD	N	C43	O6	10.1°	180.0°
CD	N	CA	HA	127.6°	120.6°
N	CD	CG	HG2	86.5°	155.1°
N	CD	HD3	HD2	123.3°	122.3°
N	C43	C44	O6	174.9°	180.0°
C43	N	CA	HA	54.4°	59.3°
C43	N	CD	HD3	45.3°	85.3°
C43	N	CD	HD2	77.0°	37.0°
N	C43	C44	H73	174.8°	90.0°
N	C43	C44	H71	54.9°	150.0°
N	C43	C44	H72	65.1°	30.0°
C43	C44	H73	H71	120.0°	120.1°
C43	C44	H73	H72	120.0°	120.0°
C43	C44	H71	H72	120.0°	120.0°
O6	C43	C44	H73	0.0°	90.0°
O6	C43	C44	H71	120.0°	30.0°
O6	C43	C44	H72	120.0°	150.0°
H24	C13	C14	H26	118.9°	64.7°
H24	C13	C14	H27	122.5°	175.3°
H24	C13	C12	H22	0.0°	179.7°
H24	C13	C12	H23	180.0°	0.4°
H26	C14	C15	H29	69.0°	180.0°
H26	C14	C15	H28	49.4°	60.0°
H27	C14	C15	H29	172.4°	60.0°
H27	C14	C15	H28	69.2°	180.0°
H29	C15	C16	H31	176.9°	180.0°
H29	C15	C16	H30	58.0°	60.0°
H28	C15	C16	H31	64.8°	60.0°
H28	C15	C16	H30	176.4°	180.0°
H31	C16	C17	H32	171.1°	180.0°
H31	C16	C17	H33	70.7°	60.0°
H30	C16	C17	H32	52.3°	60.0°
H30	C16	C17	H33	170.4°	179.9°
H32	C17	C18	H34	62.6°	180.0°
H32	C17	C18	H35	55.4°	60.0°
H33	C17	C18	H34	179.2°	60.0°
H33	C17	C18	H35	62.7°	180.0°
H34	C18	C19	H36	57.8°	180.0°
H34	C18	C19	H37	62.2°	60.1°
H35	C18	C19	H36	175.8°	60.0°
H35	C18	C19	H37	55.8°	180.0°
HA	CA	CB	HB3	92.5°	144.3°
HA	CA	CB	HB2	29.8°	21.0°
HA	CA	C	OXT	31.3°	40.4°
HB3	CB	CG	HG2	39.7°	35.2°
HB2	CB	CG	HG2	162.0°	88.1°
HG2	CG	CD	HD3	32.4°	36.2°
HG2	CG	CD	HD2	154.7°	86.1°
H73	C44	H71	H72	120.0°	119.9°

Release date:	2015-07-29
Definition date:	2015-04-01
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	UNDEFINED