B8R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	N5	sing	1.46Å	1.47Å
C19	N5	sing	1.46Å	1.48Å
N5	C17	sing	1.35Å	1.37Å
N4	C16	sing	1.47Å	1.48Å
C17	O5	doub	1.21Å	1.23Å
C17	C16	sing	1.51Å	1.43Å
C16	C20	sing	1.53Å	1.57Å
C20	C21	sing	1.53Å	1.52Å
C21	C22	sing	1.53Å	1.53Å
CG	CD	sing	1.53Å	1.53Å
CG	C23	sing	1.53Å	1.52Å
CD	CB	sing	1.53Å	1.53Å
C22	C23	sing	1.53Å	1.53Å
C	CA	sing	1.51Å	1.39Å
C	O	doub	1.21Å	1.23Å
CA	CB	sing	1.53Å	1.52Å
CA	N	sing	1.47Å	1.47Å
C	OXT	sing	1.34Å	1.03Å
N4	H27	sing	1.01Å	1.00Å
N4	H3	sing	1.01Å	1.00Å
C16	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C19	H9	sing	1.09Å	1.10Å
C19	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
C21	H14	sing	1.09Å	1.10Å
C21	H15	sing	1.09Å	1.10Å
C22	H16	sing	1.09Å	1.10Å
C22	H17	sing	1.09Å	1.10Å
C23	H18	sing	1.09Å	1.10Å
C23	H19	sing	1.09Å	1.10Å
CG	H20	sing	1.09Å	1.10Å
CG	H21	sing	1.09Å	1.10Å
CD	H22	sing	1.09Å	1.10Å
CD	H23	sing	1.09Å	1.10Å
CB	H24	sing	1.09Å	1.10Å
CB	H25	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	N5	C19	118.6°	120.0°
C18	N5	C17	116.3°	120.0°
N5	C18	H6	109.5°	109.5°
N5	C18	H7	109.5°	109.5°
N5	C18	H8	109.5°	109.5°
C19	N5	C17	125.1°	120.0°
N5	C19	H9	109.5°	109.5°
N5	C19	H10	109.5°	109.4°
N5	C19	H11	109.4°	109.5°
N5	C17	O5	120.1°	120.0°
N5	C17	C16	123.0°	120.0°
N4	C16	C17	110.7°	109.5°
N4	C16	C20	116.5°	109.5°
C16	N4	H27	109.5°	111.0°
C16	N4	H3	109.4°	111.0°
N4	C16	H5	103.6°	109.5°
O5	C17	C16	116.7°	120.0°
C17	C16	C20	117.1°	109.5°
C17	C16	H5	104.1°	109.5°
C16	C20	C21	115.4°	109.5°
C20	C16	H5	102.8°	109.4°
C16	C20	H12	108.0°	109.5°
C16	C20	H13	108.0°	109.4°
C20	C21	C22	110.2°	109.5°
C21	C20	H12	108.0°	109.5°
C21	C20	H13	107.9°	109.4°
C20	C21	H14	109.3°	109.6°
C20	C21	H15	109.3°	109.4°
C21	C22	C23	110.7°	109.5°
C22	C21	H14	109.3°	109.5°
C22	C21	H15	109.3°	109.4°
C21	C22	H16	109.2°	109.5°
C21	C22	H17	109.2°	109.4°
CD	CG	C23	110.7°	109.5°
CG	CD	CB	111.6°	109.5°
CD	CG	H20	109.2°	109.6°
CD	CG	H21	109.2°	109.4°
CG	CD	H22	108.9°	109.5°
CG	CD	H23	108.9°	109.4°
CG	C23	C22	109.5°	109.5°
CG	C23	H18	109.5°	109.5°
CG	C23	H19	109.5°	109.4°
C23	CG	H20	109.2°	109.5°
C23	CG	H21	109.2°	109.4°
CD	CB	CA	108.1°	109.5°
CB	CD	H22	108.9°	109.5°
CB	CD	H23	108.9°	109.4°
CD	CB	H24	109.8°	109.5°
CD	CB	H25	109.8°	109.4°
C23	C22	H16	109.1°	109.5°
C23	C22	H17	109.2°	109.4°
C22	C23	H18	109.5°	109.5°
C22	C23	H19	109.5°	109.4°
CA	C	O	120.7°	120.1°
C	CA	CB	110.0°	109.4°
C	CA	N	106.3°	109.4°
CA	C	OXT	119.6°	120.0°
C	CA	HA	111.0°	109.5°
O	C	OXT	119.7°	120.0°
CB	CA	N	110.5°	109.5°
CA	CB	H24	109.8°	109.5°
CA	CB	H25	109.8°	109.5°
CB	CA	HA	109.1°	109.4°
N	CA	HA	109.9°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
C	OXT	HXT	109.5°	117.0°
H27	N4	H3	109.5°	110.9°
H6	C18	H7	109.5°	109.5°
H6	C18	H8	109.4°	109.4°
H7	C18	H8	109.5°	109.5°
H9	C19	H10	109.5°	109.5°
H9	C19	H11	109.5°	109.5°
H10	C19	H11	109.5°	109.4°
H12	C20	H13	109.5°	109.4°
H14	C21	H15	109.5°	109.4°
H16	C22	H17	109.5°	109.4°
H18	C23	H19	109.5°	109.4°
H20	CG	H21	109.5°	109.4°
H22	CD	H23	109.5°	109.4°
H24	CB	H25	109.5°	109.5°
H	N	H2	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	N5	C19	C17	178.6°	180.0°
C18	N5	C17	O5	2.3°	0.0°
C18	N5	C17	C16	176.9°	180.0°
N5	C18	H6	H7	120.0°	120.0°
N5	C18	H6	H8	120.0°	120.0°
N5	C18	H7	H8	120.0°	120.0°
C18	N5	C19	H9	180.0°	120.0°
C18	N5	C19	H10	60.0°	0.0°
C18	N5	C19	H11	60.0°	120.0°
C19	N5	C17	O5	179.0°	180.0°
C19	N5	C17	C16	4.4°	0.0°
C19	N5	C18	H6	180.0°	90.0°
C19	N5	C18	H7	60.0°	30.0°
C19	N5	C18	H8	60.0°	150.0°
N5	C19	H9	H10	120.0°	120.0°
N5	C19	H9	H11	120.0°	120.1°
N5	C19	H10	H11	120.0°	120.0°
N5	C17	C16	N4	48.0°	160.0°
N5	C17	O5	C16	174.9°	180.0°
N5	C17	C16	C20	88.7°	80.0°
N5	C17	C16	H5	158.7°	39.9°
C17	N5	C18	H6	1.2°	90.0°
C17	N5	C18	H7	121.2°	150.0°
C17	N5	C18	H8	118.7°	30.0°
C17	N5	C19	H9	1.4°	60.0°
C17	N5	C19	H10	118.7°	180.0°
C17	N5	C19	H11	121.4°	60.0°
N4	C16	C17	O5	126.7°	20.0°
N4	C16	C17	C20	136.7°	120.1°
N4	C16	C17	H5	110.7°	120.0°
N4	C16	C20	H5	112.4°	120.0°
N4	C16	C20	C21	48.3°	64.9°
C16	N4	H27	H3	120.0°	123.9°
N4	C16	C20	H12	72.5°	175.0°
N4	C16	C20	H13	169.2°	55.0°
O5	C17	C16	C20	96.5°	100.0°
O5	C17	C16	H5	16.0°	140.0°
C17	C16	C20	H5	113.3°	120.0°
C17	C16	C20	C21	85.9°	175.0°
C17	C16	N4	H27	180.0°	60.0°
C17	C16	N4	H3	60.0°	63.9°
C17	C16	C20	H12	153.2°	54.9°
C17	C16	C20	H13	34.9°	65.0°
C16	C20	C21	H12	120.8°	120.1°
C16	C20	C21	H13	120.9°	119.9°
C16	C20	C21	C22	172.2°	NaN°
C20	C16	N4	H27	43.0°	60.1°
C20	C16	N4	H3	77.0°	176.0°
C16	C20	H12	H13	117.4°	120.0°
C16	C20	C21	H14	67.7°	59.9°
C16	C20	C21	H15	52.1°	60.1°
C20	C21	C22	H14	120.1°	120.1°
C20	C21	C22	H15	120.1°	119.9°
C20	C21	C22	C23	66.9°	180.0°
C21	C20	C16	H5	160.8°	55.0°
C21	C20	H12	H13	117.3°	120.0°
C20	C21	H14	H15	119.7°	120.0°
C20	C21	C22	H16	53.2°	59.9°
C20	C21	C22	H17	172.9°	60.1°
C21	C22	C23	CG	59.7°	180.0°
C21	C22	C23	H16	120.2°	120.1°
C21	C22	C23	H17	120.2°	119.9°
C22	C21	C20	H12	51.3°	59.9°
C22	C21	C20	H13	66.9°	60.1°
C22	C21	H14	H15	119.7°	119.9°
C21	C22	H16	H17	119.5°	120.0°
C21	C22	C23	H18	179.7°	59.9°
C21	C22	C23	H19	60.3°	60.1°
CD	CG	C23	H20	120.2°	120.1°
CD	CG	C23	H21	120.2°	119.9°
CG	CD	CB	H22	120.3°	120.1°
CG	CD	CB	H23	120.3°	119.9°
CD	CG	C23	C22	174.0°	180.0°
CG	CD	CB	CA	121.2°	180.0°
CD	CG	C23	H18	66.0°	59.9°
CD	CG	C23	H19	54.0°	60.1°
CD	CG	H20	H21	119.4°	120.0°
CG	CD	H22	H23	119.0°	120.0°
CG	CD	CB	H24	119.0°	60.0°
CG	CD	CB	H25	1.4°	60.1°
C23	CG	CD	CB	83.3°	180.0°
CG	C23	C22	H18	120.0°	120.1°
CG	C23	C22	H19	120.0°	119.9°
CG	C23	C22	H16	179.9°	59.9°
CG	C23	C22	H17	60.5°	60.1°
CG	C23	H18	H19	120.0°	120.0°
C23	CG	H20	H21	119.5°	119.9°
C23	CG	CD	H22	156.3°	59.9°
C23	CG	CD	H23	37.0°	60.1°
CD	CB	CA	C	59.7°	175.1°
CD	CB	CA	H24	119.8°	120.0°
CD	CB	CA	H25	119.8°	119.9°
CD	CB	CA	N	176.7°	65.0°
CB	CD	CG	H20	156.5°	59.9°
CB	CD	CG	H21	36.8°	60.1°
CB	CD	H22	H23	119.0°	120.0°
CD	CB	H24	H25	120.7°	120.0°
CD	CB	CA	HA	62.3°	55.1°
C23	C22	C21	H14	173.0°	59.9°
C23	C22	C21	H15	53.2°	60.1°
C23	C22	H16	H17	119.4°	120.0°
C22	C23	H18	H19	120.0°	120.0°
C22	C23	CG	H20	53.8°	59.9°
C22	C23	CG	H21	65.8°	60.1°
CA	C	O	OXT	180.0°	179.7°
C	CA	CB	N	117.0°	120.0°
C	CA	CB	HA	122.0°	120.0°
C	CA	N	HA	120.2°	120.1°
C	CA	CB	H24	60.1°	55.0°
C	CA	CB	H25	179.5°	65.0°
C	CA	N	H	180.0°	60.0°
C	CA	N	H2	60.0°	176.1°
CA	C	OXT	HXT	180.0°	180.0°
O	C	CA	CB	47.7°	100.0°
O	C	CA	N	72.0°	20.0°
O	C	CA	HA	168.6°	140.0°
O	C	OXT	HXT	0.0°	0.3°
CB	CA	N	HA	120.5°	120.0°
CB	CA	C	OXT	132.3°	79.7°
CA	CB	CD	H22	0.8°	59.9°
CA	CB	CD	H23	118.5°	60.0°
CA	CB	H24	H25	120.6°	120.0°
CB	CA	N	H	60.7°	60.0°
CB	CA	N	H2	179.4°	64.0°
N	CA	C	OXT	108.0°	160.3°
N	CA	CB	H24	56.9°	175.0°
N	CA	CB	H25	63.5°	54.9°
CA	N	H	H2	120.0°	123.9°
OXT	C	CA	HA	11.4°	40.2°
H27	N4	C16	H5	69.0°	180.0°
H3	N4	C16	H5	171.0°	56.1°
H5	C16	C20	H12	39.9°	65.0°
H5	C16	C20	H13	78.4°	175.0°
H6	C18	H7	H8	120.0°	119.9°
H9	C19	H10	H11	120.0°	120.0°
H12	C20	C21	H14	171.4°	180.0°
H12	C20	C21	H15	68.8°	60.0°
H13	C20	C21	H14	53.2°	60.0°
H13	C20	C21	H15	173.0°	180.0°
H14	C21	C22	H16	66.9°	180.0°
H14	C21	C22	H17	52.8°	60.1°
H15	C21	C22	H16	173.4°	60.0°
H15	C21	C22	H17	67.0°	180.0°
H16	C22	C23	H18	60.1°	180.0°
H16	C22	C23	H19	59.9°	60.0°
H17	C22	C23	H18	59.5°	60.0°
H17	C22	C23	H19	179.5°	180.0°
H18	C23	CG	H20	173.8°	180.0°
H18	C23	CG	H21	54.2°	60.0°
H19	C23	CG	H20	66.2°	60.1°
H19	C23	CG	H21	174.2°	180.0°
H20	CG	CD	H22	36.1°	180.0°
H20	CG	CD	H23	83.2°	60.0°
H21	CG	CD	H22	83.5°	60.0°
H21	CG	CD	H23	157.2°	180.0°
H22	CD	CB	H24	120.6°	180.0°
H22	CD	CB	H25	118.9°	60.0°
H23	CD	CB	H24	1.3°	60.0°
H23	CD	CB	H25	121.7°	180.0°
H24	CB	CA	HA	177.9°	65.0°
H25	CB	CA	HA	57.4°	175.0°
HA	CA	N	H	59.8°	180.0°
HA	CA	N	H2	60.2°	56.0°

Release date:	2019-02-13
Definition date:	2019-01-22
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Replaces:	ALA
Derived from:	6J67