KEO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.18Å
C	CA	sing	1.51Å	1.53Å
O02	C05	doub	1.21Å	1.18Å
N02	C07	sing	1.47Å	1.45Å
C05	NZ	sing	1.35Å	1.45Å
C05	C06	sing	1.51Å	1.52Å
NZ	CE	sing	1.46Å	1.44Å
CB	CA	sing	1.53Å	1.52Å
CB	CG	sing	1.53Å	1.51Å
CA	N	sing	1.47Å	1.46Å
CG	CD	sing	1.53Å	1.51Å
CG	O01	sing	1.43Å	1.40Å
C08	C07	sing	1.53Å	1.52Å
C08	C09	sing	1.53Å	1.52Å
C07	C06	sing	1.53Å	1.51Å
CD	CE	sing	1.53Å	1.51Å
C09	C10	sing	1.53Å	1.52Å
C10	N03	sing	1.47Å	1.45Å
C	OXT	sing	1.34Å	1.33Å
CA	HA	sing	1.09Å	1.10Å
N	H2	sing	1.01Å	1.00Å
N	H	sing	1.01Å	1.00Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CG	H7	sing	1.09Å	1.10Å
CD	H8	sing	1.09Å	1.10Å
CD	H9	sing	1.09Å	1.10Å
CE	H10	sing	1.09Å	1.10Å
CE	H11	sing	1.09Å	1.10Å
C06	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C07	H14	sing	1.09Å	1.10Å
C08	H15	sing	1.09Å	1.10Å
C08	H16	sing	1.09Å	1.10Å
C09	H17	sing	1.09Å	1.10Å
C09	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å
C10	H20	sing	1.09Å	1.10Å
NZ	H21	sing	0.97Å	1.00Å
N02	H22	sing	1.01Å	1.00Å
N02	H23	sing	1.01Å	1.00Å
N03	H25	sing	1.01Å	1.00Å
N03	H26	sing	1.01Å	1.00Å
O01	H28	sing	0.97Å	0.95Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	119.5°	120.0°
O	C	OXT	123.0°	120.0°
C	CA	CB	109.9°	109.5°
C	CA	N	114.7°	109.5°
CA	C	OXT	117.5°	120.0°
C	CA	HA	106.0°	109.5°
O02	C05	NZ	120.4°	120.0°
O02	C05	C06	119.6°	120.0°
N02	C07	C08	109.1°	109.5°
N02	C07	C06	108.0°	109.5°
N02	C07	H14	111.2°	109.4°
C07	N02	H22	109.5°	111.0°
C07	N02	H23	109.5°	111.0°
NZ	C05	C06	120.0°	120.0°
C05	NZ	CE	117.6°	120.0°
C05	NZ	H21	121.2°	120.0°
C05	C06	C07	109.3°	109.5°
C05	C06	H12	109.5°	109.5°
C05	C06	H13	109.5°	109.4°
NZ	CE	CD	111.3°	109.4°
NZ	CE	H10	109.0°	109.5°
NZ	CE	H11	109.0°	109.5°
CE	NZ	H21	121.2°	120.0°
CA	CB	CG	112.2°	109.5°
CB	CA	N	112.9°	109.4°
CB	CA	HA	106.0°	109.5°
CA	CB	H5	108.8°	109.5°
CA	CB	H6	108.8°	109.5°
CB	CG	CD	107.3°	109.5°
CB	CG	O01	110.0°	109.5°
CG	CB	H5	108.8°	109.5°
CG	CB	H6	108.8°	109.4°
CB	CG	H7	109.8°	109.5°
N	CA	HA	106.7°	109.5°
CA	N	H2	109.5°	111.0°
CA	N	H	109.4°	111.0°
CD	CG	O01	108.1°	109.4°
CG	CD	CE	109.2°	109.4°
CD	CG	H7	109.9°	109.5°
CG	CD	H8	109.6°	109.5°
CG	CD	H9	109.5°	109.4°
O01	CG	H7	111.6°	109.5°
CG	O01	H28	109.5°	114.0°
C07	C08	C09	110.3°	109.5°
C08	C07	C06	108.1°	109.5°
C08	C07	H14	110.1°	109.5°
C07	C08	H15	109.3°	109.4°
C07	C08	H16	109.2°	109.5°
C08	C09	C10	111.6°	109.5°
C09	C08	H15	109.2°	109.5°
C09	C08	H16	109.3°	109.5°
C08	C09	H17	108.9°	109.5°
C08	C09	H18	108.9°	109.5°
C07	C06	H12	109.5°	109.5°
C07	C06	H13	109.5°	109.5°
C06	C07	H14	110.2°	109.5°
CE	CD	H8	109.5°	109.5°
CE	CD	H9	109.6°	109.5°
CD	CE	H10	109.0°	109.5°
CD	CE	H11	109.0°	109.4°
C09	C10	N03	110.1°	109.5°
C10	C09	H17	108.9°	109.5°
C10	C09	H18	108.9°	109.5°
C09	C10	H19	109.4°	109.5°
C09	C10	H20	109.3°	109.5°
N03	C10	H19	109.3°	109.4°
N03	C10	H20	109.3°	109.5°
C10	N03	H25	109.5°	111.0°
C10	N03	H26	109.4°	111.0°
C	OXT	HXT	109.5°	117.0°
H2	N	H	109.5°	111.0°
H5	CB	H6	109.5°	109.5°
H8	CD	H9	109.4°	109.5°
H10	CE	H11	109.5°	109.5°
H12	C06	H13	109.5°	109.4°
H15	C08	H16	109.5°	109.5°
H17	C09	H18	109.5°	109.4°
H19	C10	H20	109.4°	109.5°
H22	N02	H23	109.4°	111.0°
H25	N03	H26	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	179.4°	180.0°
O	C	CA	CB	35.3°	100.0°
O	C	CA	N	163.8°	20.0°
O	C	CA	HA	78.7°	140.0°
O	C	OXT	HXT	0.0°	0.0°
C	CA	CB	N	129.5°	120.0°
C	CA	CB	HA	114.1°	120.0°
C	CA	CB	CG	123.7°	175.0°
C	CA	N	HA	117.0°	120.0°
C	CA	N	H2	180.0°	60.0°
C	CA	N	H	60.0°	176.1°
C	CA	CB	H5	115.9°	65.0°
C	CA	CB	H6	3.3°	55.0°
CA	C	OXT	HXT	179.4°	180.0°
O02	C05	NZ	C06	179.4°	180.0°
O02	C05	NZ	CE	179.3°	0.0°
O02	C05	C06	C07	44.3°	0.0°
O02	C05	C06	H12	75.7°	120.0°
O02	C05	C06	H13	164.2°	120.0°
O02	C05	NZ	H21	0.7°	180.0°
N02	C07	C06	C05	12.8°	65.0°
N02	C07	C08	C06	117.3°	120.0°
N02	C07	C08	H14	122.3°	120.0°
N02	C07	C08	C09	156.9°	65.0°
N02	C07	C06	H14	121.6°	120.0°
N02	C07	C06	H12	132.7°	55.1°
N02	C07	C06	H13	107.2°	175.0°
N02	C07	C08	H15	36.8°	55.0°
N02	C07	C08	H16	83.0°	175.0°
C07	N02	H22	H23	120.0°	124.0°
C05	NZ	CE	H21	180.0°	180.0°
NZ	C05	C06	C07	135.1°	180.0°
C05	NZ	CE	CD	175.7°	180.0°
C05	NZ	CE	H10	55.4°	60.1°
C05	NZ	CE	H11	64.0°	60.0°
NZ	C05	C06	H12	104.9°	60.0°
NZ	C05	C06	H13	15.1°	60.0°
C06	C05	NZ	CE	0.1°	180.0°
C05	C06	C07	C08	105.2°	175.0°
C05	C06	C07	H12	120.0°	120.1°
C05	C06	C07	H13	119.9°	120.0°
C05	C06	H12	H13	120.1°	119.9°
C05	C06	C07	H14	134.4°	55.0°
C06	C05	NZ	H21	179.9°	0.0°
NZ	CE	CD	CG	55.2°	180.0°
NZ	CE	CD	H10	120.3°	120.0°
NZ	CE	CD	H11	120.3°	120.0°
NZ	CE	CD	H8	175.2°	60.0°
NZ	CE	CD	H9	64.8°	60.0°
NZ	CE	H10	H11	119.1°	120.1°
CA	CB	CG	H5	120.4°	120.0°
CA	CB	CG	H6	120.4°	120.0°
CB	CA	N	HA	116.0°	120.0°
CA	CB	CG	CD	144.8°	175.0°
CA	CB	CG	O01	27.4°	65.0°
CB	CA	C	OXT	145.3°	80.0°
CB	CA	N	H2	53.0°	60.0°
CB	CA	N	H	173.1°	64.0°
CA	CB	H5	H6	118.7°	120.0°
CA	CB	CG	H7	95.8°	55.0°
CG	CB	CA	N	106.8°	65.0°
CB	CG	CD	O01	118.6°	120.0°
CB	CG	CD	H7	119.4°	120.0°
CB	CG	O01	H7	122.1°	120.1°
CB	CG	CD	CE	163.6°	175.0°
CG	CB	CA	HA	9.6°	55.0°
CG	CB	H5	H6	118.7°	120.0°
CB	CG	CD	H8	76.4°	65.0°
CB	CG	CD	H9	43.6°	55.1°
CB	CG	O01	H28	180.0°	60.0°
N	CA	C	OXT	16.8°	160.0°
CA	N	H2	H	120.0°	124.0°
N	CA	CB	H5	13.6°	55.0°
N	CA	CB	H6	132.8°	175.0°
CD	CG	O01	H7	120.9°	120.0°
CG	CD	CE	H8	120.0°	120.0°
CG	CD	CE	H9	120.0°	119.9°
CD	CG	CB	H5	24.4°	65.0°
CD	CG	CB	H6	94.8°	55.0°
CG	CD	H8	H9	120.1°	120.0°
CG	CD	CE	H10	175.5°	60.0°
CG	CD	CE	H11	65.1°	60.0°
CD	CG	O01	H28	63.1°	60.0°
O01	CG	CD	CE	77.8°	65.0°
O01	CG	CB	H5	93.0°	55.0°
O01	CG	CB	H6	147.8°	175.0°
O01	CG	CD	H8	42.2°	55.0°
O01	CG	CD	H9	162.2°	175.0°
C07	C08	C09	H15	120.1°	120.0°
C07	C08	C09	H16	120.1°	120.0°
C08	C07	C06	H14	120.4°	120.0°
C07	C08	C09	C10	60.8°	180.0°
C08	C07	C06	H12	14.8°	65.0°
C08	C07	C06	H13	134.9°	55.0°
C07	C08	H15	H16	119.6°	120.0°
C07	C08	C09	H17	178.9°	60.0°
C07	C08	C09	H18	59.5°	60.0°
C08	C07	N02	H22	180.0°	60.1°
C08	C07	N02	H23	60.0°	63.9°
C09	C08	C07	C06	85.9°	175.0°
C08	C09	C10	H17	120.3°	120.0°
C08	C09	C10	H18	120.3°	120.0°
C08	C09	C10	N03	144.2°	180.0°
C09	C08	C07	H14	34.6°	55.0°
C09	C08	H15	H16	119.7°	120.0°
C08	C09	H17	H18	119.0°	120.0°
C08	C09	C10	H19	24.1°	60.1°
C08	C09	C10	H20	95.7°	60.0°
C07	C06	H12	H13	120.1°	120.0°
C06	C07	C08	H15	154.0°	65.0°
C06	C07	C08	H16	34.3°	55.0°
C06	C07	N02	H22	62.7°	60.0°
C06	C07	N02	H23	57.3°	176.0°
CE	CD	CG	H7	44.2°	55.0°
CE	CD	H8	H9	120.1°	120.0°
CD	CE	H10	H11	119.2°	120.0°
CD	CE	NZ	H21	4.3°	0.0°
C09	C10	N03	H19	120.1°	120.0°
C09	C10	N03	H20	120.1°	120.0°
C10	C09	C08	H15	59.3°	60.0°
C10	C09	C08	H16	179.1°	60.0°
C10	C09	H17	H18	119.0°	120.0°
C09	C10	H19	H20	119.7°	120.1°
C09	C10	N03	H25	180.0°	56.0°
C09	C10	N03	H26	60.0°	180.0°
N03	C10	C09	H17	95.5°	60.0°
N03	C10	C09	H18	23.9°	60.0°
N03	C10	H19	H20	119.7°	120.0°
C10	N03	H25	H26	120.0°	124.0°
OXT	C	CA	HA	100.6°	40.0°
HA	CA	N	H2	63.0°	180.0°
HA	CA	N	H	57.0°	56.0°
HA	CA	CB	H5	130.1°	175.0°
HA	CA	CB	H6	110.8°	65.0°
H5	CB	CG	H7	143.8°	175.0°
H6	CB	CG	H7	24.6°	65.0°
H7	CG	CD	H8	164.2°	175.0°
H7	CG	CD	H9	75.7°	65.0°
H7	CG	O01	H28	57.8°	179.9°
H8	CD	CE	H10	64.6°	180.0°
H8	CD	CE	H11	54.9°	60.0°
H9	CD	CE	H10	55.5°	59.9°
H9	CD	CE	H11	175.0°	180.0°
H10	CE	NZ	H21	124.6°	120.0°
H11	CE	NZ	H21	116.0°	119.9°
H12	C06	C07	H14	105.6°	175.0°
H13	C06	C07	H14	14.5°	65.0°
H14	C07	C08	H15	85.5°	175.0°
H14	C07	C08	H16	154.7°	65.0°
H14	C07	N02	H22	58.4°	180.0°
H14	C07	N02	H23	178.3°	56.1°
H15	C08	C09	H17	61.0°	180.0°
H15	C08	C09	H18	179.6°	60.0°
H16	C08	C09	H17	58.8°	60.0°
H16	C08	C09	H18	60.6°	180.0°
H17	C09	C10	H19	144.4°	179.9°
H17	C09	C10	H20	24.6°	60.0°
H18	C09	C10	H19	96.2°	60.0°
H18	C09	C10	H20	144.0°	180.0°
H19	C10	N03	H25	59.8°	64.0°
H19	C10	N03	H26	179.9°	60.1°
H20	C10	N03	H25	59.9°	176.1°
H20	C10	N03	H26	60.1°	59.9°

Release date:	2017-11-22
Definition date:	2017-10-05
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	6ENU