BPR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.49Å	1.48Å
N	CD	sing	1.49Å	1.47Å
N	HN	sing	1.01Å	1.00Å
CA	C	sing	1.51Å	1.53Å
CA	CB	sing	1.54Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.22Å
C	N1	sing	1.35Å	1.34Å
CB	CG	sing	1.54Å	1.53Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CG	CD	sing	1.54Å	1.52Å
CG	HG1	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CD	HD1	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
O1	B	sing	1.42Å	1.50Å
O1	HO1	sing	0.97Å	0.95Å
N1	C1	sing	1.48Å	1.48Å
N1	C2	sing	1.47Å	1.46Å
C1	C4	sing	1.55Å	1.49Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	sing	1.54Å	1.52Å
C2	B	sing	1.57Å	1.57Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.55Å	1.51Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
O2	B	sing	1.42Å	1.49Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	CD	110.3°	104.2°
CA	N	HN	109.2°	106.9°
N	CA	C	112.9°	110.4°
N	CA	CB	107.3°	104.7°
N	CA	HA	108.9°	110.4°
CD	N	HN	109.2°	106.7°
N	CD	CG	102.9°	104.6°
N	CD	HD1	113.1°	110.5°
N	CD	HD2	111.7°	110.3°
C	CA	CB	110.2°	110.4°
C	CA	HA	105.9°	110.4°
CA	C	O	121.0°	120.0°
CA	C	N1	117.1°	120.0°
CB	CA	HA	111.7°	110.4°
CA	CB	CG	102.4°	105.0°
CA	CB	HB1	113.4°	110.3°
CA	CB	HB2	111.9°	110.3°
O	C	N1	121.9°	120.0°
C	N1	C1	124.4°	125.7°
C	N1	C2	122.7°	125.8°
CG	CB	HB1	113.4°	110.3°
CG	CB	HB2	111.9°	110.4°
CB	CG	CD	106.6°	105.1°
CB	CG	HG1	111.0°	110.3°
CB	CG	HG2	110.5°	110.3°
HB1	CB	HB2	104.2°	110.4°
CD	CG	HG1	111.1°	110.4°
CD	CG	HG2	110.4°	110.3°
CG	CD	HD1	113.1°	110.4°
CG	CD	HD2	111.7°	110.4°
HG1	CG	HG2	107.3°	110.3°
HD1	CD	HD2	104.5°	110.5°
B	O1	HO1	109.5°	106.8°
O1	B	C2	109.4°	120.0°
O1	B	O2	107.6°	120.0°
C1	N1	C2	112.0°	108.5°
N1	C1	C4	102.6°	104.9°
N1	C1	H11	113.2°	110.5°
N1	C1	H12	111.8°	110.3°
N1	C2	C3	102.2°	107.4°
N1	C2	B	113.8°	109.9°
N1	C2	H2	112.0°	109.9°
C4	C1	H11	113.3°	110.4°
C4	C1	H12	111.8°	110.3°
C1	C4	C3	104.3°	101.6°
C1	C4	H41	112.3°	111.0°
C1	C4	H42	111.2°	111.0°
H11	C1	H12	104.3°	110.4°
C3	C2	B	110.9°	109.9°
C3	C2	H2	114.8°	109.9°
C2	C3	C4	102.7°	103.0°
C2	C3	H31	113.2°	110.7°
C2	C3	H32	111.8°	110.7°
B	C2	H2	103.5°	109.8°
C2	B	O2	111.2°	120.0°
C4	C3	H31	113.2°	110.7°
C4	C3	H32	111.8°	110.7°
C3	C4	H41	112.4°	111.0°
C3	C4	H42	111.3°	111.0°
H31	C3	H32	104.4°	110.8°
H41	C4	H42	105.5°	110.9°
B	O2	HO2	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	CD	HN	120.0°	112.9°
N	CA	C	CB	120.0°	115.3°
N	CA	C	HA	119.1°	122.4°
N	CA	CB	HA	119.2°	118.8°
N	CA	C	O	18.1°	16.9°
N	CA	C	N1	160.3°	163.0°
N	CA	CB	CG	19.7°	23.8°
N	CA	CB	HB1	102.8°	95.1°
N	CA	CB	HB2	139.7°	142.7°
CA	N	CD	CG	18.5°	39.3°
CA	N	CD	HD1	140.9°	158.1°
CA	N	CD	HD2	101.5°	79.4°
CD	N	CA	C	120.8°	158.2°
CD	N	CA	CB	0.9°	39.3°
CD	N	CA	HA	121.9°	79.5°
N	CD	CG	CB	31.1°	23.8°
N	CD	CG	HD1	122.4°	118.9°
N	CD	CG	HD2	120.0°	118.7°
N	CD	CG	HG1	152.2°	95.1°
N	CD	CG	HG2	89.0°	142.7°
N	CD	HD1	HD2	121.7°	122.4°
HN	N	CA	C	0.7°	89.1°
HN	N	CA	CB	120.9°	152.0°
HN	N	CA	HA	118.1°	33.2°
HN	N	CD	CG	101.5°	152.2°
HN	N	CD	HD1	20.9°	89.0°
HN	N	CD	HD2	138.5°	33.5°
C	CA	CB	HA	117.4°	122.3°
CA	C	O	N1	178.4°	180.0°
C	CA	CB	CG	103.7°	142.6°
C	CA	CB	HB1	133.8°	23.7°
C	CA	CB	HB2	16.3°	98.5°
CA	C	N1	C1	12.0°	0.0°
CA	C	N1	C2	179.9°	179.9°
CB	CA	C	O	101.9°	98.4°
CB	CA	C	N1	79.7°	81.7°
CA	CB	CG	HB1	122.5°	118.9°
CA	CB	CG	HB2	120.0°	118.9°
CA	CB	HB1	HB2	121.9°	122.1°
CA	CB	CG	CD	31.5°	0.0°
CA	CB	CG	HG1	152.6°	118.9°
CA	CB	CG	HG2	88.5°	118.9°
HA	CA	C	O	137.2°	139.3°
HA	CA	C	N1	41.3°	40.7°
HA	CA	CB	CG	138.9°	95.0°
HA	CA	CB	HB1	16.4°	146.1°
HA	CA	CB	HB2	101.1°	23.9°
O	C	N1	C1	166.4°	180.0°
O	C	N1	C2	1.7°	0.1°
C	N1	C1	C2	169.2°	179.9°
C	N1	C1	C4	179.0°	155.9°
C	N1	C1	H11	58.6°	85.2°
C	N1	C1	H12	59.0°	37.1°
C	N1	C2	C3	154.3°	178.9°
C	N1	C2	B	86.1°	61.6°
C	N1	C2	H2	30.9°	59.4°
CG	CB	HB1	HB2	121.9°	122.2°
CB	CG	CD	HG1	121.1°	118.9°
CB	CG	CD	HG2	120.0°	118.9°
CB	CG	HG1	HG2	120.8°	122.1°
CB	CG	CD	HD1	153.4°	142.6°
CB	CG	CD	HD2	88.9°	94.9°
HB1	CB	CG	CD	91.1°	118.9°
HB1	CB	CG	HG1	30.1°	0.1°
HB1	CB	CG	HG2	148.9°	122.2°
HB2	CB	CG	CD	151.5°	118.9°
HB2	CB	CG	HG1	87.4°	122.2°
HB2	CB	CG	HG2	31.5°	0.1°
CD	CG	HG1	HG2	120.7°	122.2°
CG	CD	HD1	HD2	121.8°	122.4°
HG1	CG	CD	HD1	85.4°	23.7°
HG1	CG	CD	HD2	32.2°	146.2°
HG2	CG	CD	HD1	33.4°	98.5°
HG2	CG	CD	HD2	151.0°	24.0°
O1	B	C2	N1	60.2°	0.3°
O1	B	C2	C3	54.4°	118.3°
O1	B	C2	O2	118.8°	180.0°
O1	B	C2	H2	178.0°	120.7°
O1	B	O2	HO2	78.0°	0.1°
HO1	O1	B	C2	20.2°	179.9°
HO1	O1	B	O2	100.8°	0.0°
N1	C1	C4	H11	122.4°	119.0°
N1	C1	C4	H12	120.0°	118.8°
N1	C1	H11	H12	121.8°	122.2°
C1	N1	C2	C3	15.2°	1.2°
C1	N1	C2	B	104.5°	118.3°
C1	N1	C2	H2	138.6°	120.7°
N1	C1	C4	C3	30.9°	37.1°
N1	C1	C4	H41	91.0°	155.2°
N1	C1	C4	H42	150.9°	80.9°
C2	N1	C1	C4	9.7°	24.3°
C2	N1	C1	H11	132.2°	94.7°
C2	N1	C1	H12	110.3°	143.0°
N1	C2	C3	B	121.6°	119.5°
N1	C2	C3	H2	121.5°	119.5°
N1	C2	B	H2	121.8°	121.0°
N1	C2	C3	C4	33.6°	22.1°
N1	C2	C3	H31	88.9°	96.2°
N1	C2	C3	H32	153.6°	140.5°
N1	C2	B	O2	58.6°	179.7°
C4	C1	H11	H12	121.8°	122.3°
C1	C4	C3	C2	40.9°	35.5°
C1	C4	C3	H41	121.9°	118.1°
C1	C4	C3	H42	120.0°	118.0°
C1	C4	C3	H31	81.6°	82.9°
C1	C4	C3	H32	160.9°	153.9°
C1	C4	H41	H42	121.4°	123.9°
H11	C1	C4	C3	153.4°	81.9°
H11	C1	C4	H41	31.4°	36.2°
H11	C1	C4	H42	86.6°	160.1°
H12	C1	C4	C3	89.1°	155.8°
H12	C1	C4	H41	149.0°	86.1°
H12	C1	C4	H42	31.0°	37.8°
C3	C2	B	H2	123.6°	121.1°
C2	C3	C4	H31	122.4°	118.4°
C2	C3	C4	H32	120.0°	118.4°
C2	C3	H31	H32	121.8°	123.3°
C2	C3	C4	H41	81.1°	153.6°
C2	C3	C4	H42	160.9°	82.6°
C3	C2	B	O2	173.2°	61.7°
B	C2	C3	C4	88.1°	141.6°
B	C2	C3	H31	149.5°	23.3°
B	C2	C3	H32	31.9°	100.0°
C2	B	O2	HO2	162.2°	180.0°
H2	C2	C3	C4	155.1°	97.4°
H2	C2	C3	H31	32.6°	144.3°
H2	C2	C3	H32	84.9°	21.0°
H2	C2	B	O2	63.2°	59.4°
C4	C3	H31	H32	121.8°	123.2°
C3	C4	H41	H42	121.4°	123.9°
H31	C3	C4	H41	156.5°	35.2°
H31	C3	C4	H42	38.4°	159.1°
H32	C3	C4	H41	38.9°	88.0°
H32	C3	C4	H42	79.1°	35.9°

Definition date:	2005-08-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2AJD