LK3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O27	S11	doub	1.45Å	1.50Å
S11	N	sing	1.71Å	1.63Å
N	CA	sing	1.46Å	1.47Å
CA	C	sing	1.52Å	1.53Å
C	OXT	sing	1.36Å	1.25Å
C	O	doub	1.22Å	1.25Å
CA	CB	sing	1.54Å	1.53Å
CB	CG	sing	1.53Å	1.53Å
CG	CD	sing	1.51Å	1.53Å
CD	OE2	doub	1.22Å	1.25Å
CD	OE1	sing	1.36Å	1.25Å
S11	C12	sing	1.77Å	1.75Å
C12	C17	sing	1.38Å	1.39Å
C17	C16	doub	1.39Å	1.39Å
C16	C15	sing	1.41Å	1.39Å
C15	C21	sing	1.40Å	1.39Å
C21	C20	doub	1.39Å	1.39Å
C20	C19	sing	1.39Å	1.39Å
C19	C18	doub	1.40Å	1.39Å
C15	C14	doub	1.42Å	1.39Å
C18	C14	sing	1.40Å	1.39Å
C12	C13	doub	1.38Å	1.39Å
C14	C13	sing	1.40Å	1.39Å
C20	O22	sing	1.36Å	1.36Å
O22	C23	sing	1.43Å	1.44Å
S11	O28	doub	1.45Å	1.50Å
C23	C24	sing	1.52Å	1.53Å
C24	C25	sing	1.53Å	1.53Å
C25	C26	sing	1.53Å	1.53Å
C26	C30	sing	1.52Å	1.53Å
N	H	sing	1.03Å	1.00Å
CB	HBC1	sing	1.10Å	1.10Å
CB	HBC2	sing	1.10Å	1.10Å
OXT	HXT	sing	0.98Å	0.95Å
CG	HGC1	sing	1.10Å	1.10Å
CG	HGC2	sing	1.10Å	1.10Å
OE1	HE1	sing	0.98Å	0.95Å
C17	H17	sing	1.09Å	1.08Å
C13	H13	sing	1.09Å	1.08Å
C16	H16	sing	1.09Å	1.08Å
C21	H21	sing	1.09Å	1.08Å
C19	H19	sing	1.09Å	1.08Å
C18	H18	sing	1.09Å	1.08Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.10Å	1.10Å
C24	H241	sing	1.10Å	1.10Å
C24	H242	sing	1.10Å	1.10Å
C25	H251	sing	1.10Å	1.10Å
C25	H252	sing	1.10Å	1.10Å
C26	H261	sing	1.10Å	1.10Å
C26	H262	sing	1.10Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C30	H303	sing	1.09Å	1.10Å
CA	HA	sing	1.10Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O27	S11	N	108.9°	109.4°
O27	S11	C12	110.0°	106.9°
O27	S11	O28	109.0°	120.2°
S11	N	CA	111.7°	120.5°
N	S11	C12	109.9°	101.6°
N	S11	O28	110.1°	109.1°
S11	N	H	108.8°	118.2°
N	CA	C	109.9°	108.1°
N	CA	CB	108.4°	112.1°
CA	N	H	108.7°	116.4°
N	CA	HA	110.0°	107.2°
CA	C	OXT	117.3°	111.9°
CA	C	O	117.2°	125.5°
C	CA	CB	110.0°	112.2°
C	CA	HA	108.5°	107.7°
OXT	C	O	125.5°	122.6°
C	OXT	HXT	109.5°	115.3°
CA	CB	CG	112.3°	116.2°
CA	CB	HBC1	108.5°	108.8°
CA	CB	HBC2	107.9°	108.3°
CB	CA	HA	110.0°	109.3°
CB	CG	CD	111.2°	113.9°
CG	CB	HBC1	108.6°	109.8°
CG	CB	HBC2	107.9°	107.3°
CB	CG	HGC1	108.9°	111.3°
CB	CG	HGC2	108.6°	109.8°
CG	CD	OE2	117.2°	123.9°
CG	CD	OE1	117.1°	112.7°
CD	CG	HGC1	108.9°	108.5°
CD	CG	HGC2	108.5°	107.3°
OE2	CD	OE1	125.7°	123.4°
CD	OE1	HE1	109.5°	115.1°
S11	C12	C17	119.3°	119.2°
S11	C12	C13	121.0°	119.3°
C12	S11	O28	109.0°	108.0°
C12	C17	C16	120.3°	119.3°
C17	C12	C13	119.7°	121.5°
C12	C17	H17	119.8°	121.4°
C17	C16	C15	119.9°	120.7°
C16	C17	H17	119.8°	119.3°
C17	C16	H16	120.0°	118.9°
C16	C15	C21	119.9°	121.5°
C16	C15	C14	119.9°	119.3°
C15	C16	H16	120.0°	120.5°
C15	C21	C20	120.2°	120.7°
C21	C15	C14	120.2°	119.3°
C15	C21	H21	119.9°	120.2°
C21	C20	C19	119.5°	120.0°
C21	C20	O22	120.6°	120.0°
C20	C21	H21	119.9°	119.1°
C20	C19	C18	120.2°	120.0°
C19	C20	O22	119.8°	120.0°
C20	C19	H19	119.9°	120.3°
C19	C18	C14	120.2°	120.7°
C18	C19	H19	119.9°	119.7°
C19	C18	H18	119.9°	118.8°
C15	C14	C18	119.6°	119.3°
C15	C14	C13	120.0°	119.3°
C18	C14	C13	120.4°	121.5°
C14	C18	H18	119.9°	120.5°
C12	C13	C14	120.1°	120.0°
C12	C13	H13	119.9°	120.2°
C14	C13	H13	120.0°	119.8°
C20	O22	C23	111.9°	117.0°
O22	C23	C24	110.6°	108.8°
O22	C23	H231	109.1°	108.6°
O22	C23	H232	108.8°	108.5°
C23	C24	C25	110.8°	111.7°
C24	C23	H231	109.1°	111.0°
C24	C23	H232	108.9°	110.9°
C23	C24	H241	109.0°	109.3°
C23	C24	H242	108.7°	109.4°
C24	C25	C26	110.9°	111.3°
C25	C24	H241	109.0°	110.2°
C25	C24	H242	108.7°	110.3°
C24	C25	H251	109.0°	109.6°
C24	C25	H252	108.6°	109.5°
C25	C26	C30	110.9°	111.5°
C26	C25	H251	109.0°	109.6°
C26	C25	H252	108.7°	109.6°
C25	C26	H261	109.0°	109.9°
C25	C26	H262	108.7°	109.9°
C30	C26	H261	109.0°	109.2°
C30	C26	H262	108.7°	109.1°
C26	C30	H301	109.5°	111.0°
C26	C30	H302	109.4°	111.0°
C26	C30	H303	109.4°	110.3°
HBC1	CB	HBC2	111.7°	106.0°
HGC1	CG	HGC2	110.8°	105.6°
H231	C23	H232	110.3°	109.0°
H241	C24	H242	110.5°	105.8°
H251	C25	H252	110.6°	107.2°
H261	C26	H262	110.6°	107.2°
H301	C30	H302	109.5°	108.3°
H301	C30	H303	109.5°	108.1°
H302	C30	H303	109.5°	108.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O27	S11	N	C12	120.4°	112.8°
O27	S11	N	O28	119.5°	133.3°
O27	S11	N	CA	160.2°	22.9°
O27	S11	C12	O28	119.5°	130.7°
O27	S11	C12	C17	153.0°	155.3°
O27	S11	C12	C13	27.8°	24.7°
O27	S11	N	H	40.2°	131.4°
S11	N	CA	H	120.0°	154.6°
S11	N	CA	C	78.4°	145.9°
S11	N	CA	CB	161.4°	89.9°
N	S11	C12	O28	120.8°	114.7°
N	S11	C12	C17	87.2°	90.0°
N	S11	C12	C13	92.0°	90.0°
S11	N	CA	HA	41.1°	30.0°
N	CA	C	CB	119.3°	124.1°
N	CA	C	HA	120.4°	115.5°
N	CA	C	OXT	145.7°	175.4°
N	CA	C	O	34.0°	4.5°
N	CA	CB	HA	120.4°	118.7°
N	CA	CB	CG	177.8°	57.4°
CA	N	S11	C12	79.4°	90.0°
CA	N	S11	O28	40.7°	156.1°
N	CA	CB	HBC1	62.2°	178.2°
N	CA	CB	HBC2	59.0°	63.4°
CA	C	OXT	O	179.7°	179.9°
C	CA	CB	HA	119.4°	119.4°
C	CA	CB	CG	61.9°	64.5°
C	CA	N	H	41.7°	59.5°
C	CA	CB	HBC1	58.1°	60.0°
C	CA	CB	HBC2	179.3°	174.7°
CA	C	OXT	HXT	179.7°	179.9°
OXT	C	CA	CB	95.0°	60.4°
OXT	C	CA	HA	25.3°	59.9°
O	C	CA	CB	85.3°	119.7°
O	C	OXT	HXT	0.0°	0.0°
O	C	CA	HA	154.4°	120.0°
CA	CB	CG	HBC1	120.0°	124.0°
CA	CB	CG	HBC2	118.8°	121.3°
CA	CB	CG	CD	173.5°	176.0°
CB	CA	N	H	78.6°	64.7°
CA	CB	HBC1	HBC2	118.8°	116.2°
CA	CB	CG	HGC1	53.5°	61.0°
CA	CB	CG	HGC2	67.2°	55.6°
CB	CG	CD	HGC1	120.0°	124.6°
CB	CG	CD	HGC2	119.3°	121.7°
CB	CG	CD	OE2	9.0°	4.5°
CB	CG	CD	OE1	171.4°	176.0°
CG	CB	HBC1	HBC2	118.9°	115.6°
CB	CG	HGC1	HGC2	119.3°	119.1°
CG	CB	CA	HA	57.5°	176.1°
CG	CD	OE2	OE1	179.5°	179.4°
CD	CG	CB	HBC1	66.5°	60.0°
CD	CG	CB	HBC2	54.7°	54.7°
CD	CG	HGC1	HGC2	119.3°	114.8°
CG	CD	OE1	HE1	179.4°	179.4°
OE2	CD	CG	HGC1	111.0°	120.0°
OE2	CD	CG	HGC2	128.3°	126.3°
OE2	CD	OE1	HE1	0.0°	0.1°
OE1	CD	CG	HGC1	68.6°	59.4°
OE1	CD	CG	HGC2	52.1°	54.3°
S11	C12	C17	C13	179.2°	180.0°
S11	C12	C17	C16	179.0°	180.0°
S11	C12	C13	C14	179.1°	180.0°
C12	S11	N	H	160.6°	115.8°
S11	C12	C17	H17	1.0°	0.0°
S11	C12	C13	H13	0.9°	0.0°
C12	C17	C16	H17	180.0°	180.0°
C12	C17	C16	C15	0.0°	0.0°
C17	C12	C13	C14	0.1°	0.0°
C17	C12	S11	O28	33.6°	24.7°
C17	C12	C13	H13	179.9°	180.0°
C12	C17	C16	H16	180.0°	180.0°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	C21	178.7°	180.0°
C17	C16	C15	C14	0.3°	0.0°
C16	C17	C12	C13	0.2°	0.0°
C16	C15	C21	C14	179.0°	180.0°
C16	C15	C21	C20	179.0°	180.0°
C16	C15	C14	C18	179.6°	180.0°
C16	C15	C14	C13	0.5°	0.0°
C15	C16	C17	H17	180.0°	180.0°
C16	C15	C21	H21	1.1°	0.0°
C15	C21	C20	H21	180.0°	179.9°
C15	C21	C20	C19	0.8°	0.0°
C21	C15	C14	C18	0.6°	0.0°
C21	C15	C14	C13	178.5°	180.0°
C15	C21	C20	O22	175.1°	180.0°
C21	C15	C16	H16	1.3°	0.0°
C21	C20	C19	O22	175.9°	179.9°
C21	C20	C19	C18	0.9°	0.0°
C20	C21	C15	C14	0.1°	0.0°
C21	C20	O22	C23	29.7°	149.9°
C21	C20	C19	H19	179.1°	179.9°
C20	C19	C18	H19	180.0°	179.9°
C20	C19	C18	C14	0.3°	0.0°
C19	C20	O22	C23	154.4°	30.0°
C19	C20	C21	H21	179.2°	180.0°
C20	C19	C18	H18	179.7°	180.0°
C19	C18	C14	C15	0.5°	0.0°
C19	C18	C14	H18	180.0°	180.0°
C19	C18	C14	C13	178.6°	180.0°
C18	C19	C20	O22	175.0°	179.9°
C15	C14	C18	C13	179.1°	180.0°
C15	C14	C13	C12	0.3°	0.0°
C15	C14	C13	H13	179.7°	180.0°
C14	C15	C16	H16	179.6°	180.0°
C14	C15	C21	H21	179.9°	180.0°
C15	C14	C18	H18	179.6°	180.0°
C18	C14	C13	C12	179.4°	180.0°
C18	C14	C13	H13	0.6°	0.0°
C14	C18	C19	H19	179.7°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C13	C12	S11	O28	147.3°	155.4°
C13	C12	C17	H17	179.8°	180.0°
C13	C14	C18	H18	1.3°	0.0°
C20	O22	C23	C24	90.3°	150.8°
O22	C20	C21	H21	4.9°	0.1°
O22	C20	C19	H19	5.0°	0.0°
C20	O22	C23	H231	29.7°	30.0°
C20	O22	C23	H232	150.1°	88.3°
O22	C23	C24	H231	120.0°	119.4°
O22	C23	C24	H232	119.5°	119.4°
O22	C23	C24	C25	63.1°	179.4°
O22	C23	H231	H232	119.5°	118.0°
O22	C23	C24	H241	56.9°	58.4°
O22	C23	C24	H242	177.5°	57.1°
O28	S11	N	H	79.3°	1.9°
C23	C24	C25	H241	120.0°	121.7°
C23	C24	C25	H242	119.5°	121.8°
C23	C24	C25	C26	179.8°	178.3°
C24	C23	H231	H232	119.6°	122.4°
C23	C24	H241	H242	119.5°	117.7°
C23	C24	C25	H251	59.8°	60.3°
C23	C24	C25	H252	60.8°	57.0°
C24	C25	C26	H251	120.0°	121.4°
C24	C25	C26	H252	119.4°	121.3°
C24	C25	C26	C30	179.9°	178.6°
C25	C24	C23	H231	176.9°	60.0°
C25	C24	C23	H232	56.4°	61.2°
C25	C24	H241	H242	119.4°	119.2°
C24	C25	H251	H252	119.4°	118.8°
C24	C25	C26	H261	59.9°	60.2°
C24	C25	C26	H262	60.7°	57.5°
C25	C26	C30	H261	120.0°	121.6°
C25	C26	C30	H262	119.4°	121.5°
C26	C25	C24	H241	60.2°	60.0°
C26	C25	C24	H242	60.3°	56.5°
C26	C25	H251	H252	119.4°	118.8°
C25	C26	H261	H262	119.4°	119.4°
C25	C26	C30	H301	60.0°	60.1°
C25	C26	C30	H302	180.0°	60.4°
C25	C26	C30	H303	60.0°	179.9°
C30	C26	C25	H251	60.1°	60.0°
C30	C26	C25	H252	60.5°	57.3°
C30	C26	H261	H262	119.4°	118.1°
C26	C30	H301	H302	120.0°	122.1°
C26	C30	H301	H303	120.0°	121.0°
C26	C30	H302	H303	119.9°	121.0°
H	N	CA	HA	161.1°	175.4°
HBC1	CB	CG	HGC1	173.5°	63.0°
HBC1	CB	CG	HGC2	52.8°	179.6°
HBC1	CB	CA	HA	177.5°	59.5°
HBC2	CB	CG	HGC1	65.3°	177.7°
HBC2	CB	CG	HGC2	173.9°	65.7°
HBC2	CB	CA	HA	61.3°	55.3°
H17	C17	C16	H16	0.0°	0.0°
H19	C19	C18	H18	0.3°	0.1°
H231	C23	C24	H241	63.1°	177.8°
H231	C23	C24	H242	57.5°	62.3°
H232	C23	C24	H241	176.5°	61.0°
H232	C23	C24	H242	63.0°	176.4°
H241	C24	C25	H251	179.8°	61.4°
H241	C24	C25	H252	59.2°	178.7°
H242	C24	C25	H251	59.7°	177.9°
H242	C24	C25	H252	179.7°	64.8°
H251	C25	C26	H261	179.9°	61.2°
H251	C25	C26	H262	59.3°	178.9°
H252	C25	C26	H261	59.5°	178.5°
H252	C25	C26	H262	179.9°	63.8°
H261	C26	C30	H301	60.0°	178.2°
H261	C26	C30	H302	60.0°	61.2°
H261	C26	C30	H303	180.0°	58.5°
H262	C26	C30	H301	179.4°	61.4°
H262	C26	C30	H302	60.6°	178.1°
H262	C26	C30	H303	59.4°	58.4°
H301	C30	H302	H303	120.1°	116.9°

Definition date:	2007-03-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ