PBI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	CA1	sing	1.47Å	1.42Å
N1	HN11	sing	1.01Å	1.02Å
N1	HN12	sing	1.01Å	1.02Å
CA1	C1	sing	1.51Å	1.49Å
CA1	HA11	sing	1.09Å	1.12Å
CA1	HA12	sing	1.09Å	1.11Å
C1	N2	doub	1.29Å	1.33Å
C1	N3	sing	1.37Å	1.45Å
N2	CA2	sing	1.47Å	1.39Å
N3	C2	sing	1.35Å	1.41Å
N3	CA3	sing	1.47Å	1.43Å
C2	O2	doub	1.21Å	1.22Å
C2	CA2	sing	1.52Å	1.48Å
CA2	CB2	sing	1.53Å	1.36Å
CA2	HA2	sing	1.09Å	1.11Å
CA3	C3	sing	1.51Å	1.52Å
CA3	HA31	sing	1.09Å	1.11Å
CA3	HA32	sing	1.09Å	1.12Å
C3	O3	doub	1.21Å	1.24Å
C3	HC3	sing	1.08Å	1.10Å
CB2	CG2	sing	1.53Å	1.39Å
CB2	HB21	sing	1.09Å	1.11Å
CB2	HB22	sing	1.09Å	1.11Å
CG2	CD1	sing	1.50Å	1.43Å
CG2	CD2	sing	1.50Å	1.43Å
CG2	HG2	sing	1.09Å	1.11Å
CD1	CE1	doub	1.33Å	1.36Å
CD1	HD1	sing	1.08Å	1.10Å
CD2	CE2	doub	1.33Å	1.36Å
CD2	HD2	sing	1.08Å	1.10Å
CE1	CZ	sing	1.47Å	1.47Å
CE1	HE1	sing	1.08Å	1.10Å
CE2	CZ	sing	1.47Å	1.45Å
CE2	HE2	sing	1.08Å	1.10Å
CZ	OH	doub	1.22Å	1.26Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA1	N1	HN11	106.0°	106.8°
CA1	N1	HN12	113.5°	106.7°
N1	CA1	C1	106.0°	109.5°
N1	CA1	HA11	113.5°	109.5°
N1	CA1	HA12	113.5°	109.5°
HN11	N1	HN12	113.5°	106.8°
C1	CA1	HA11	113.5°	109.5°
C1	CA1	HA12	113.5°	109.5°
CA1	C1	N2	123.0°	123.4°
CA1	C1	N3	123.3°	123.5°
HA11	CA1	HA12	96.9°	109.4°
N2	C1	N3	113.6°	113.1°
C1	N2	CA2	106.6°	107.6°
C1	N3	C2	104.7°	110.7°
C1	N3	CA3	129.9°	124.7°
N2	CA2	C2	109.1°	103.8°
N2	CA2	CB2	129.2°	110.6°
N2	CA2	HA2	103.4°	110.5°
C2	N3	CA3	124.7°	124.7°
N3	C2	O2	121.9°	127.6°
N3	C2	CA2	105.8°	104.8°
N3	CA3	C3	116.6°	109.5°
N3	CA3	HA31	109.7°	109.4°
N3	CA3	HA32	109.6°	109.5°
O2	C2	CA2	132.3°	127.6°
C2	CA2	CB2	121.7°	110.7°
C2	CA2	HA2	147.1°	110.6°
CB2	CA2	HA2	26.4°	110.5°
CA2	CB2	CG2	132.4°	109.5°
CA2	CB2	HB21	104.2°	109.5°
CA2	CB2	HB22	104.2°	109.4°
C3	CA3	HA31	109.6°	109.5°
C3	CA3	HA32	109.6°	109.5°
CA3	C3	O3	122.1°	120.0°
CA3	C3	HC3	129.4°	120.0°
HA31	CA3	HA32	100.5°	109.5°
O3	C3	HC3	108.5°	120.0°
CG2	CB2	HB21	104.3°	109.5°
CG2	CB2	HB22	104.3°	109.5°
CB2	CG2	CD1	119.6°	108.8°
CB2	CG2	CD2	124.3°	108.8°
CB2	CG2	HG2	37.3°	108.7°
HB21	CB2	HB22	104.6°	109.5°
CD1	CG2	CD2	116.1°	112.9°
CD1	CG2	HG2	156.6°	108.8°
CG2	CD1	CE1	122.4°	123.1°
CG2	CD1	HD1	121.4°	118.5°
CD2	CG2	HG2	87.1°	108.7°
CG2	CD2	CE2	122.6°	123.1°
CG2	CD2	HD2	121.4°	118.4°
CE1	CD1	HD1	116.2°	118.5°
CD1	CE1	CZ	121.7°	119.4°
CD1	CE1	HE1	115.4°	120.3°
CE2	CD2	HD2	116.0°	118.5°
CD2	CE2	CZ	121.8°	119.4°
CD2	CE2	HE2	115.8°	120.3°
CZ	CE1	HE1	122.9°	120.3°
CE1	CZ	CE2	115.0°	117.7°
CE1	CZ	OH	122.6°	121.1°
CZ	CE2	HE2	122.4°	120.3°
CE2	CZ	OH	122.3°	121.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA1	N1	HN11	HN12	125.2°	113.9°
N1	CA1	C1	HA11	125.3°	120.0°
N1	CA1	C1	HA12	125.3°	120.0°
N1	CA1	HA11	HA12	119.4°	120.0°
N1	CA1	C1	N2	89.8°	0.0°
N1	CA1	C1	N3	86.9°	179.8°
HN11	N1	CA1	C1	180.0°	66.1°
HN11	N1	CA1	HA11	54.7°	53.9°
HN11	N1	CA1	HA12	54.7°	173.8°
HN12	N1	CA1	C1	54.8°	180.0°
HN12	N1	CA1	HA11	179.9°	60.0°
HN12	N1	CA1	HA12	70.5°	59.9°
C1	CA1	HA11	HA12	119.4°	120.0°
CA1	C1	N2	N3	177.0°	179.8°
CA1	C1	N2	CA2	177.7°	180.0°
CA1	C1	N3	C2	178.5°	179.9°
CA1	C1	N3	CA3	10.9°	0.1°
HA11	CA1	C1	N2	145.0°	120.1°
HA11	CA1	C1	N3	38.4°	59.7°
HA12	CA1	C1	N2	35.5°	120.0°
HA12	CA1	C1	N3	147.8°	60.2°
N2	C1	N3	C2	4.5°	0.3°
N2	C1	N3	CA3	166.0°	179.9°
C1	N2	CA2	C2	4.0°	0.0°
C1	N2	CA2	CB2	177.1°	118.7°
C1	N2	CA2	HA2	170.7°	118.6°
N3	C1	N2	CA2	5.4°	0.2°
C1	N3	C2	CA3	171.2°	179.7°
C1	N3	C2	O2	177.8°	179.9°
C1	N3	C2	CA2	1.7°	0.3°
C1	N3	CA3	C3	96.5°	90.4°
C1	N3	CA3	HA31	138.3°	29.6°
C1	N3	CA3	HA32	28.8°	149.6°
N2	CA2	C2	N3	1.3°	0.2°
N2	CA2	C2	O2	179.2°	180.0°
N2	CA2	C2	CB2	178.9°	118.6°
N2	CA2	C2	HA2	170.5°	118.5°
N2	CA2	CB2	HA2	14.2°	122.7°
N2	CA2	CB2	CG2	4.0°	61.5°
N2	CA2	CB2	HB21	121.2°	58.6°
N2	CA2	CB2	HB22	129.3°	178.5°
N3	C2	O2	CA2	179.3°	179.8°
N3	C2	CA2	CB2	179.7°	118.4°
N3	C2	CA2	HA2	169.1°	118.7°
C2	N3	CA3	C3	94.7°	89.9°
C2	N3	CA3	HA31	30.6°	150.1°
C2	N3	CA3	HA32	140.1°	30.1°
CA3	N3	C2	O2	11.0°	0.1°
CA3	N3	C2	CA2	169.5°	180.0°
N3	CA3	C3	HA31	125.3°	120.0°
N3	CA3	C3	HA32	125.3°	120.0°
N3	CA3	HA31	HA32	115.4°	120.0°
N3	CA3	C3	O3	157.6°	120.0°
N3	CA3	C3	HC3	22.5°	60.0°
O2	C2	CA2	CB2	0.3°	61.4°
O2	C2	CA2	HA2	10.3°	61.4°
C2	CA2	CB2	HA2	167.1°	122.9°
C2	CA2	CB2	CG2	177.3°	175.9°
C2	CA2	CB2	HB21	57.5°	55.8°
C2	CA2	CB2	HB22	52.0°	64.1°
CA2	CB2	CG2	HB21	125.2°	120.0°
CA2	CB2	CG2	HB22	125.2°	119.9°
CA2	CB2	HB21	HB22	109.2°	120.0°
CA2	CB2	CG2	CD1	2.4°	180.0°
CA2	CB2	CG2	CD2	177.4°	56.5°
CA2	CB2	CG2	HG2	177.5°	61.8°
HA2	CA2	CB2	CG2	10.2°	61.2°
HA2	CA2	CB2	HB21	135.5°	178.7°
HA2	CA2	CB2	HB22	115.1°	58.7°
C3	CA3	HA31	HA32	115.4°	120.0°
CA3	C3	O3	HC3	179.9°	180.0°
HA31	CA3	C3	O3	32.3°	0.0°
HA31	CA3	C3	HC3	147.8°	180.0°
HA32	CA3	C3	O3	77.1°	120.0°
HA32	CA3	C3	HC3	102.8°	60.0°
CG2	CB2	HB21	HB22	109.3°	120.0°
CB2	CG2	CD1	CD2	179.8°	120.9°
CB2	CG2	CD1	HG2	7.4°	118.3°
CB2	CG2	CD2	HG2	3.1°	118.3°
CB2	CG2	CD1	CE1	178.1°	104.4°
CB2	CG2	CD1	HD1	1.9°	75.7°
CB2	CG2	CD2	CE2	179.7°	104.2°
CB2	CG2	CD2	HD2	0.3°	75.7°
HB21	CB2	CG2	CD1	122.9°	60.0°
HB21	CB2	CG2	CD2	57.4°	176.5°
HB21	CB2	CG2	HG2	52.3°	58.3°
HB22	CB2	CG2	CD1	127.6°	60.0°
HB22	CB2	CG2	CD2	52.1°	63.4°
HB22	CB2	CG2	HG2	57.3°	178.3°
CD1	CG2	CD2	HG2	177.1°	120.8°
CG2	CD1	CE1	HD1	180.0°	179.9°
CD1	CG2	CD2	CE2	0.1°	16.7°
CD1	CG2	CD2	HD2	179.9°	163.4°
CG2	CD1	CE1	CZ	0.3°	0.5°
CG2	CD1	CE1	HE1	179.7°	179.4°
CD2	CG2	CD1	CE1	2.2°	16.6°
CD2	CG2	CD1	HD1	177.8°	163.3°
CG2	CD2	CE2	HD2	180.0°	179.9°
CG2	CD2	CE2	CZ	4.3°	0.7°
CG2	CD2	CE2	HE2	175.7°	179.4°
HG2	CG2	CD1	CE1	170.6°	137.4°
HG2	CG2	CD1	HD1	9.4°	42.5°
HG2	CG2	CD2	CE2	177.2°	137.5°
HG2	CG2	CD2	HD2	2.8°	42.6°
CD1	CE1	CZ	HE1	180.0°	179.9°
CD1	CE1	CZ	CE2	3.6°	16.7°
CD1	CE1	CZ	OH	177.9°	163.4°
HD1	CD1	CE1	CZ	179.7°	179.4°
HD1	CD1	CE1	HE1	0.3°	0.7°
CD2	CE2	CZ	CE1	5.8°	16.6°
CD2	CE2	CZ	HE2	180.0°	179.9°
CD2	CE2	CZ	OH	175.6°	163.4°
HD2	CD2	CE2	CZ	175.7°	179.4°
HD2	CD2	CE2	HE2	4.3°	0.6°
CE1	CZ	CE2	OH	178.5°	180.0°
CE1	CZ	CE2	HE2	174.1°	163.4°
HE1	CE1	CZ	CE2	176.4°	163.4°
HE1	CE1	CZ	OH	2.1°	16.5°
HE2	CE2	CZ	OH	4.4°	16.6°

Definition date:	1999-09-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI