2KK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	N	sing	1.47Å	1.46Å
CA	C	sing	1.51Å	1.51Å
CA	CB	sing	1.53Å	1.53Å
C	O	doub	1.21Å	1.24Å
CG	CB	sing	1.53Å	1.51Å
CG	CD	sing	1.53Å	1.51Å
CD	CE	sing	1.53Å	1.52Å
CE	NZ	sing	1.47Å	1.49Å
NZ	C02	sing	1.35Å	1.46Å
C05	C06	doub	1.38Å	1.38Å	Aromatic
C05	C04	sing	1.40Å	1.38Å	Aromatic
C02	O01	doub	1.22Å	1.26Å
C02	C04	sing	1.48Å	1.48Å
C06	C07	sing	1.39Å	1.39Å	Aromatic
C04	C10	doub	1.40Å	1.39Å	Aromatic
C07	F08	sing	1.35Å	1.33Å
C07	C09	doub	1.39Å	1.39Å	Aromatic
C10	C09	sing	1.38Å	1.39Å	Aromatic
C	OXT	sing	1.34Å	1.33Å
N	H1	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CG	H7	sing	1.09Å	1.10Å
CG	H8	sing	1.09Å	1.10Å
CD	H9	sing	1.09Å	1.10Å
CD	H10	sing	1.09Å	1.10Å
CE	H11	sing	1.09Å	1.10Å
CE	H12	sing	1.09Å	1.10Å
NZ	H13	sing	0.97Å	1.00Å
C05	H14	sing	1.08Å	1.08Å
C06	H15	sing	1.08Å	1.08Å
C09	H16	sing	1.08Å	1.08Å
C10	H17	sing	1.08Å	1.08Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	C	107.4°	109.5°
N	CA	CB	111.7°	109.4°
CA	N	H1	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	H4	110.2°	109.5°
C	CA	CB	108.8°	109.4°
CA	C	O	120.0°	120.0°
CA	C	OXT	115.9°	120.0°
C	CA	H4	109.5°	109.5°
CA	CB	CG	114.1°	109.5°
CB	CA	H4	109.2°	109.5°
CA	CB	H5	108.3°	109.5°
CA	CB	H6	108.3°	109.5°
O	C	OXT	124.0°	120.0°
CB	CG	CD	110.2°	109.5°
CG	CB	H5	108.3°	109.5°
CG	CB	H6	108.3°	109.5°
CB	CG	H7	109.3°	109.5°
CB	CG	H8	109.3°	109.5°
CG	CD	CE	111.6°	109.5°
CD	CG	H7	109.3°	109.5°
CD	CG	H8	109.3°	109.5°
CG	CD	H9	108.9°	109.5°
CG	CD	H10	109.0°	109.5°
CD	CE	NZ	110.5°	109.4°
CE	CD	H9	108.9°	109.5°
CE	CD	H10	108.9°	109.5°
CD	CE	H11	109.2°	109.5°
CD	CE	H12	109.2°	109.5°
CE	NZ	C02	121.3°	120.0°
NZ	CE	H11	109.2°	109.4°
NZ	CE	H12	109.2°	109.5°
CE	NZ	H13	119.3°	120.1°
NZ	C02	O01	120.5°	120.0°
NZ	C02	C04	119.9°	120.0°
C02	NZ	H13	119.3°	120.0°
C06	C05	C04	119.7°	119.9°
C05	C06	C07	120.0°	120.1°
C06	C05	H14	120.1°	120.0°
C05	C06	H15	120.0°	119.9°
C05	C04	C02	119.6°	120.1°
C05	C04	C10	120.5°	119.7°
C04	C05	H14	120.1°	120.1°
O01	C02	C04	119.1°	120.0°
C02	C04	C10	119.9°	120.1°
C06	C07	F08	119.8°	119.9°
C06	C07	C09	120.2°	120.2°
C07	C06	H15	120.0°	120.0°
C04	C10	C09	119.7°	119.8°
C04	C10	H17	120.2°	120.1°
F08	C07	C09	120.1°	119.9°
C07	C09	C10	120.0°	120.2°
C07	C09	H16	120.0°	119.9°
C10	C09	H16	120.0°	119.9°
C09	C10	H17	120.2°	120.1°
C	OXT	HXT	109.5°	117.0°
H1	N	H2	109.5°	111.0°
H5	CB	H6	109.5°	109.4°
H7	CG	H8	109.5°	109.5°
H9	CD	H10	109.4°	109.5°
H11	CE	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	C	CB	121.0°	120.0°
N	CA	C	H4	119.7°	120.0°
N	CA	CB	H4	122.1°	120.0°
N	CA	C	O	46.0°	19.9°
N	CA	CB	CG	60.7°	65.0°
N	CA	C	OXT	133.5°	160.0°
CA	N	H1	H2	120.0°	124.0°
N	CA	CB	H5	60.0°	55.0°
N	CA	CB	H6	178.7°	174.9°
C	CA	CB	H4	119.5°	120.0°
CA	C	O	OXT	179.5°	179.9°
C	CA	CB	CG	179.0°	175.0°
C	CA	N	H1	180.0°	64.0°
C	CA	N	H2	60.0°	59.9°
C	CA	CB	H5	58.3°	65.0°
C	CA	CB	H6	60.3°	55.0°
CA	C	OXT	HXT	179.5°	179.9°
CB	CA	C	O	75.0°	100.0°
CA	CB	CG	H5	120.7°	120.0°
CA	CB	CG	H6	120.7°	120.0°
CA	CB	CG	CD	157.9°	180.0°
CB	CA	C	OXT	105.4°	80.0°
CB	CA	N	H1	60.8°	176.0°
CB	CA	N	H2	179.2°	60.0°
CA	CB	H5	H6	117.9°	120.0°
CA	CB	CG	H7	37.8°	60.0°
CA	CB	CG	H8	81.9°	60.0°
O	C	CA	H4	165.7°	140.0°
O	C	OXT	HXT	0.0°	0.0°
CB	CG	CD	H7	120.1°	120.0°
CB	CG	CD	H8	120.1°	120.0°
CB	CG	CD	CE	67.0°	180.0°
CG	CB	CA	H4	61.5°	55.0°
CG	CB	H5	H6	117.9°	120.0°
CB	CG	H7	H8	119.7°	120.0°
CB	CG	CD	H9	53.3°	60.0°
CB	CG	CD	H10	172.7°	60.0°
CG	CD	CE	H9	120.3°	120.0°
CG	CD	CE	H10	120.3°	120.0°
CG	CD	CE	NZ	68.2°	180.0°
CD	CG	CB	H5	81.4°	60.0°
CD	CG	CB	H6	37.2°	60.0°
CD	CG	H7	H8	119.7°	120.0°
CG	CD	H9	H10	119.1°	120.0°
CG	CD	CE	H11	52.0°	60.0°
CG	CD	CE	H12	171.7°	60.0°
CD	CE	NZ	H11	120.2°	119.9°
CD	CE	NZ	H12	120.2°	120.0°
CD	CE	NZ	C02	106.8°	180.0°
CE	CD	CG	H7	172.9°	60.0°
CE	CD	CG	H8	53.1°	60.0°
CE	CD	H9	H10	119.0°	120.0°
CD	CE	H11	H12	119.5°	120.1°
CD	CE	NZ	H13	73.2°	0.1°
CE	NZ	C02	H13	180.0°	179.9°
CE	NZ	C02	O01	2.7°	0.1°
CE	NZ	C02	C04	174.4°	180.0°
NZ	CE	CD	H9	171.5°	60.0°
NZ	CE	CD	H10	52.2°	60.0°
NZ	CE	H11	H12	119.5°	120.0°
NZ	C02	C04	C05	10.0°	0.2°
NZ	C02	O01	C04	171.8°	180.0°
NZ	C02	C04	C10	169.9°	180.0°
C02	NZ	CE	H11	13.4°	60.1°
C02	NZ	CE	H12	133.0°	59.9°
C06	C05	C04	H14	180.0°	180.0°
C06	C05	C04	C02	179.8°	180.0°
C05	C06	C07	H15	180.0°	180.0°
C06	C05	C04	C10	0.3°	0.2°
C05	C06	C07	F08	180.0°	180.0°
C05	C06	C07	C09	0.1°	0.1°
C05	C04	C02	O01	161.9°	179.7°
C05	C04	C02	C10	179.9°	179.8°
C04	C05	C06	C07	0.2°	0.0°
C05	C04	C10	C09	0.3°	0.5°
C04	C05	C06	H15	179.8°	180.0°
C05	C04	C10	H17	179.7°	179.7°
O01	C02	C04	C10	18.2°	0.0°
O01	C02	NZ	H13	177.3°	180.0°
C02	C04	C10	C09	179.8°	179.7°
C04	C02	NZ	H13	5.6°	0.1°
C02	C04	C05	H14	0.2°	0.0°
C02	C04	C10	H17	0.2°	0.1°
C06	C07	F08	C09	179.9°	179.9°
C06	C07	C09	C10	0.1°	0.2°
C07	C06	C05	H14	179.8°	179.9°
C06	C07	C09	H16	179.9°	179.9°
C04	C10	C09	C07	0.2°	0.5°
C04	C10	C09	H17	180.0°	179.8°
C10	C04	C05	H14	179.6°	179.8°
C04	C10	C09	H16	179.8°	179.8°
F08	C07	C09	C10	180.0°	179.7°
F08	C07	C06	H15	0.0°	0.0°
F08	C07	C09	H16	0.0°	0.0°
C07	C09	C10	H16	180.0°	179.7°
C09	C07	C06	H15	179.9°	180.0°
C07	C09	C10	H17	179.8°	179.7°
OXT	C	CA	H4	13.9°	40.0°
H1	N	CA	H4	60.8°	56.0°
H2	N	CA	H4	59.3°	179.9°
H4	CA	CB	H5	177.8°	175.1°
H4	CA	CB	H6	59.2°	65.0°
H5	CB	CG	H7	158.5°	180.0°
H5	CB	CG	H8	38.8°	60.0°
H6	CB	CG	H7	82.8°	60.0°
H6	CB	CG	H8	157.4°	180.0°
H7	CG	CD	H9	66.8°	NaN°
H7	CG	CD	H10	52.6°	60.0°
H8	CG	CD	H9	173.5°	60.0°
H8	CG	CD	H10	67.2°	180.0°
H9	CD	CE	H11	68.3°	180.0°
H9	CD	CE	H12	51.4°	60.0°
H10	CD	CE	H11	172.3°	60.0°
H10	CD	CE	H12	68.0°	180.0°
H11	CE	NZ	H13	166.6°	120.0°
H12	CE	NZ	H13	46.9°	120.0°
H14	C05	C06	H15	0.2°	0.0°
H16	C09	C10	H17	0.2°	0.0°

Release date:	2014-10-01
Definition date:	2013-11-21
Last modified:	2014-09-26
Release status:	REL
Processing site:	RCSB
Derived from:	4NMS