Obsolete: 3KV

3KV was replaced with REA on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C13	sing	1.51Å	1.50Å
O2	C15	doub	1.22Å	1.26Å
C13	C12	sing	1.40Å	1.47Å
C13	C14	doub	1.36Å	1.37Å
C12	C11	doub	1.37Å	1.33Å
C15	C14	sing	1.41Å	1.49Å
C15	O1	sing	1.35Å	1.25Å
C11	C10	sing	1.40Å	1.40Å
C18	C5	sing	1.51Å	1.51Å
C10	C9	doub	1.36Å	1.35Å
C9	C8	sing	1.41Å	1.47Å
C9	C19	sing	1.51Å	1.54Å
C4	C5	sing	1.50Å	1.52Å
C4	C3	sing	1.53Å	1.51Å
C5	C6	doub	1.32Å	1.35Å
C8	C7	doub	1.36Å	1.36Å
C7	C6	sing	1.42Å	1.50Å
C6	C1	sing	1.50Å	1.57Å
C3	C2	sing	1.53Å	1.54Å
C16	C1	sing	1.53Å	1.54Å
C1	C2	sing	1.53Å	1.58Å
C1	C17	sing	1.53Å	1.53Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
O1	H14	sing	0.97Å	0.95Å
C14	H15	sing	1.08Å	1.08Å
C12	H16	sing	1.08Å	1.08Å
C11	H18	sing	1.08Å	1.08Å
C19	H20	sing	1.09Å	1.10Å
C19	H21	sing	1.09Å	1.10Å
C19	H22	sing	1.09Å	1.10Å
C18	H23	sing	1.09Å	1.10Å
C18	H24	sing	1.09Å	1.10Å
C18	H25	sing	1.09Å	1.10Å
C3	H26	sing	1.09Å	1.10Å
C3	H27	sing	1.09Å	1.10Å
C2	H28	sing	1.09Å	1.10Å
C2	H29	sing	1.09Å	1.10Å
C16	H30	sing	1.09Å	1.10Å
C16	H31	sing	1.09Å	1.10Å
C16	H32	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C13	C12	118.4°	120.0°
C20	C13	C14	123.1°	120.0°
C13	C20	H11	109.5°	109.5°
C13	C20	H12	109.5°	109.5°
C13	C20	H13	109.5°	109.5°
O2	C15	C14	120.4°	120.1°
O2	C15	O1	120.8°	120.0°
C12	C13	C14	118.3°	120.0°
C13	C12	C11	107.9°	120.0°
C13	C12	H16	126.1°	120.0°
C13	C14	C15	127.2°	119.9°
C13	C14	H15	116.4°	120.0°
C12	C11	C10	116.2°	120.0°
C11	C12	H16	126.0°	120.0°
C12	C11	H18	121.9°	120.0°
C14	C15	O1	118.8°	120.0°
C15	C14	H15	116.4°	120.1°
C15	O1	H14	109.5°	114.0°
C11	C10	C9	116.1°	120.0°
C11	C10	H7	121.9°	120.0°
C10	C11	H18	121.9°	120.0°
C18	C5	C4	118.2°	118.2°
C18	C5	C6	127.1°	118.1°
C5	C18	H23	109.5°	109.5°
C5	C18	H24	109.5°	109.5°
C5	C18	H25	109.5°	109.5°
C10	C9	C8	106.5°	120.0°
C10	C9	C19	125.5°	120.0°
C9	C10	H7	122.0°	119.9°
C8	C9	C19	128.0°	120.0°
C9	C8	C7	128.9°	120.0°
C9	C8	H6	115.6°	120.0°
C9	C19	H20	109.5°	109.5°
C9	C19	H21	109.5°	109.5°
C9	C19	H22	109.5°	109.5°
C5	C4	C3	103.7°	110.1°
C4	C5	C6	114.0°	123.7°
C5	C4	H1	110.9°	109.4°
C5	C4	H2	110.9°	109.4°
C4	C3	C2	117.1°	108.6°
C3	C4	H1	110.9°	109.4°
C3	C4	H2	110.9°	109.3°
C4	C3	H26	107.5°	109.6°
C4	C3	H27	107.6°	109.7°
C5	C6	C7	116.5°	118.2°
C5	C6	C1	118.0°	123.7°
C8	C7	C6	116.9°	120.0°
C8	C7	H5	121.6°	120.0°
C7	C8	H6	115.5°	120.0°
C7	C6	C1	124.9°	118.1°
C6	C7	H5	121.6°	119.9°
C6	C1	C16	104.7°	109.4°
C6	C1	C2	111.0°	110.1°
C6	C1	C17	122.3°	109.4°
C3	C2	C1	108.8°	108.5°
C2	C3	H26	107.5°	109.6°
C2	C3	H27	107.5°	109.6°
C3	C2	H28	109.6°	109.6°
C3	C2	H29	109.6°	109.7°
C16	C1	C2	115.0°	109.3°
C16	C1	C17	95.0°	109.3°
C1	C16	H30	109.5°	109.5°
C1	C16	H31	109.5°	109.4°
C1	C16	H32	109.5°	109.5°
C2	C1	C17	108.1°	109.4°
C1	C2	H28	109.6°	109.6°
C1	C2	H29	109.6°	109.8°
C1	C17	H8	109.5°	109.5°
C1	C17	H9	109.5°	109.5°
C1	C17	H10	109.5°	109.5°
H1	C4	H2	109.5°	109.3°
H8	C17	H9	109.5°	109.5°
H8	C17	H10	109.4°	109.4°
H9	C17	H10	109.5°	109.5°
H11	C20	H12	109.5°	109.4°
H11	C20	H13	109.4°	109.5°
H12	C20	H13	109.5°	109.4°
H20	C19	H21	109.5°	109.4°
H20	C19	H22	109.4°	109.5°
H21	C19	H22	109.5°	109.5°
H23	C18	H24	109.4°	109.5°
H23	C18	H25	109.4°	109.4°
H24	C18	H25	109.5°	109.5°
H26	C3	H27	109.5°	109.8°
H28	C2	H29	109.5°	109.6°
H30	C16	H31	109.5°	109.5°
H30	C16	H32	109.4°	109.4°
H31	C16	H32	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C13	C12	C14	175.3°	180.0°
C20	C13	C12	C11	154.8°	0.0°
C20	C13	C14	C15	3.1°	7.9°
C13	C20	H11	H12	120.0°	120.0°
C13	C20	H11	H13	120.0°	120.1°
C13	C20	H12	H13	120.0°	120.0°
C20	C13	C14	H15	177.0°	172.1°
C20	C13	C12	H16	25.1°	180.0°
O2	C15	C14	C13	18.0°	6.6°
O2	C15	C14	O1	179.5°	179.9°
O2	C15	O1	H14	0.0°	0.1°
O2	C15	C14	H15	161.9°	173.4°
C13	C12	C11	H16	180.0°	180.0°
C12	C13	C14	C15	178.1°	172.1°
C13	C12	C11	C10	174.2°	180.0°
C12	C13	C20	H11	180.0°	95.5°
C12	C13	C20	H12	60.0°	144.5°
C12	C13	C20	H13	60.0°	24.5°
C12	C13	C14	H15	1.9°	7.9°
C13	C12	C11	H18	5.8°	0.1°
C14	C13	C12	C11	29.9°	180.0°
C13	C14	C15	H15	180.0°	180.0°
C13	C14	C15	O1	162.4°	173.5°
C14	C13	C20	H11	5.0°	84.5°
C14	C13	C20	H12	125.0°	35.5°
C14	C13	C20	H13	115.0°	155.4°
C14	C13	C12	H16	150.1°	0.0°
C12	C11	C10	H18	180.0°	179.9°
C12	C11	C10	C9	97.7°	180.0°
C12	C11	C10	H7	82.4°	0.1°
C14	C15	O1	H14	179.5°	180.0°
O1	C15	C14	H15	17.6°	6.6°
C11	C10	C9	H7	180.0°	179.9°
C11	C10	C9	C8	179.6°	180.0°
C11	C10	C9	C19	1.0°	0.1°
C10	C11	C12	H16	5.8°	0.1°
C18	C5	C4	C6	171.0°	180.0°
C18	C5	C4	C3	124.2°	162.8°
C18	C5	C6	C7	16.7°	0.5°
C18	C5	C6	C1	171.5°	179.6°
C18	C5	C4	H1	5.2°	77.0°
C18	C5	C4	H2	116.7°	42.6°
C5	C18	H23	H24	120.0°	120.0°
C5	C18	H23	H25	120.0°	120.0°
C5	C18	H24	H25	120.0°	120.0°
C10	C9	C8	C19	178.5°	180.0°
C10	C9	C8	C7	76.3°	180.0°
C10	C9	C8	H6	103.6°	0.0°
C9	C10	C11	H18	82.3°	0.1°
C10	C9	C19	H20	180.0°	90.1°
C10	C9	C19	H21	60.0°	150.0°
C10	C9	C19	H22	60.0°	30.0°
C9	C8	C7	H6	180.0°	180.0°
C9	C8	C7	C6	175.6°	173.8°
C9	C8	C7	H5	4.4°	6.2°
C8	C9	C10	H7	0.4°	0.0°
C8	C9	C19	H20	1.8°	90.0°
C8	C9	C19	H21	118.2°	30.0°
C8	C9	C19	H22	121.8°	150.0°
C19	C9	C8	C7	102.1°	0.0°
C19	C9	C8	H6	77.9°	179.9°
C19	C9	C10	H7	178.9°	180.0°
C9	C19	H20	H21	120.0°	120.0°
C9	C19	H20	H22	120.0°	120.1°
C9	C19	H21	H22	120.0°	120.1°
C5	C4	C3	H1	119.1°	120.2°
C5	C4	C3	H2	119.1°	120.2°
C4	C5	C6	C7	153.3°	179.6°
C4	C5	C6	C1	18.4°	0.3°
C5	C4	C3	C2	56.8°	49.9°
C5	C4	H1	H2	122.7°	119.7°
C4	C5	C18	H23	180.0°	5.4°
C4	C5	C18	H24	60.0°	114.6°
C4	C5	C18	H25	60.0°	125.4°
C5	C4	C3	H26	64.3°	169.5°
C5	C4	C3	H27	177.9°	69.9°
C3	C4	C5	C6	64.8°	17.1°
C4	C3	C2	H26	121.1°	119.7°
C4	C3	C2	H27	121.1°	119.8°
C4	C3	C2	C1	4.9°	68.3°
C3	C4	H1	H2	122.7°	119.7°
C4	C3	H26	H27	116.6°	120.5°
C4	C3	C2	H28	124.8°	51.4°
C4	C3	C2	H29	115.0°	171.8°
C5	C6	C7	C8	31.4°	58.6°
C5	C6	C7	C1	171.1°	179.9°
C5	C6	C1	C16	87.3°	103.0°
C5	C6	C1	C2	37.3°	17.1°
C5	C6	C1	C17	166.9°	137.3°
C6	C5	C4	H1	176.2°	103.0°
C6	C5	C4	H2	54.3°	137.3°
C5	C6	C7	H5	148.6°	121.4°
C6	C5	C18	H23	10.3°	174.5°
C6	C5	C18	H24	109.7°	65.5°
C6	C5	C18	H25	130.3°	54.6°
C8	C7	C6	H5	180.0°	180.0°
C8	C7	C6	C1	157.5°	121.3°
C7	C6	C1	C16	83.7°	77.0°
C7	C6	C1	C2	151.7°	162.8°
C7	C6	C1	C17	22.1°	42.6°
C6	C7	C8	H6	4.4°	6.2°
C6	C1	C2	C3	41.8°	49.8°
C6	C1	C16	C2	122.1°	120.6°
C6	C1	C16	C17	125.3°	119.7°
C6	C1	C2	C17	136.8°	120.2°
C1	C6	C7	H5	22.5°	58.7°
C6	C1	C17	H8	180.0°	64.5°
C6	C1	C17	H9	60.0°	175.5°
C6	C1	C17	H10	60.0°	55.5°
C6	C1	C2	H28	78.1°	69.9°
C6	C1	C2	H29	161.7°	169.7°
C6	C1	C16	H30	180.0°	60.0°
C6	C1	C16	H31	60.0°	180.0°
C6	C1	C16	H32	60.0°	59.9°
C3	C2	C1	C16	76.7°	70.4°
C3	C2	C1	H28	119.9°	119.7°
C3	C2	C1	H29	119.9°	119.8°
C3	C2	C1	C17	178.6°	170.0°
C2	C3	C4	H1	175.8°	70.3°
C2	C3	C4	H2	62.3°	170.0°
C2	C3	H26	H27	116.5°	120.4°
C3	C2	H28	H29	120.3°	120.4°
C16	C1	C2	C17	104.7°	119.6°
C16	C1	C17	H8	69.1°	175.8°
C16	C1	C17	H9	50.9°	55.8°
C16	C1	C17	H10	170.9°	64.2°
C16	C1	C2	H28	163.4°	169.9°
C16	C1	C2	H29	43.2°	49.5°
C1	C16	H30	H31	120.0°	120.0°
C1	C16	H30	H32	120.0°	120.0°
C1	C16	H31	H32	120.0°	120.0°
C2	C1	C17	H8	49.2°	56.2°
C2	C1	C17	H9	169.2°	63.8°
C2	C1	C17	H10	70.8°	176.1°
C1	C2	C3	H26	116.2°	172.1°
C1	C2	C3	H27	126.0°	51.5°
C1	C2	H28	H29	120.3°	120.6°
C2	C1	C16	H30	58.0°	179.4°
C2	C1	C16	H31	62.1°	59.4°
C2	C1	C16	H32	177.9°	60.7°
C1	C17	H8	H9	120.0°	120.0°
C1	C17	H8	H10	120.0°	120.0°
C1	C17	H9	H10	120.0°	120.0°
C17	C1	C2	H28	58.7°	50.3°
C17	C1	C2	H29	61.5°	70.1°
C17	C1	C16	H30	54.7°	59.7°
C17	C1	C16	H31	174.7°	60.3°
C17	C1	C16	H32	65.3°	179.6°
H1	C4	C3	H26	54.7°	49.3°
H1	C4	C3	H27	63.1°	169.9°
H2	C4	C3	H26	176.6°	70.3°
H2	C4	C3	H27	58.8°	50.3°
H5	C7	C8	H6	175.6°	173.8°
H7	C10	C11	H18	97.7°	180.0°
H8	C17	H9	H10	120.0°	119.9°
H11	C20	H12	H13	120.0°	120.0°
H16	C12	C11	H18	174.2°	180.0°
H20	C19	H21	H22	120.0°	120.0°
H23	C18	H24	H25	119.9°	120.0°
H26	C3	C2	H28	3.7°	68.3°
H26	C3	C2	H29	123.9°	52.1°
H27	C3	C2	H28	114.1°	171.2°
H27	C3	C2	H29	6.1°	68.4°
H30	C16	H31	H32	119.9°	120.0°

Release date:	2015-04-08
Definition date:	2014-09-08
Last modified:	2016-10-18
Release status:	OBS
Processing site:	RCSB
Replaced by:	REA
Derived from:	4TNS