Obsolete: PDL

PDL was replaced with PP3 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4A	sing	1.47Å	1.44Å
N	CA	sing	1.47Å	1.49Å
N	H	sing	1.01Å	1.02Å
N1	C2	doub	1.32Å	1.35Å	Aromatic
N1	C6	sing	1.32Å	1.38Å	Aromatic
C2	C2A	sing	1.51Å	1.50Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2A	H2A1	sing	1.09Å	1.11Å
C2A	H2A2	sing	1.09Å	1.12Å
C2A	H2A3	sing	1.09Å	1.12Å
C3	O3A	sing	1.36Å	1.39Å
C3	C4	doub	1.39Å	1.42Å	Aromatic
O3A	HO3	sing	0.97Å	0.95Å
C4	C4A	sing	1.51Å	1.53Å
C4	C5	sing	1.39Å	1.47Å	Aromatic
C4A	H4A1	sing	1.09Å	1.12Å
C4A	H4A2	sing	1.09Å	1.11Å
C5	C5A	sing	1.51Å	1.52Å
C5	C6	doub	1.38Å	1.42Å	Aromatic
C5A	OP4	sing	1.43Å	1.41Å
C5A	H5A1	sing	1.09Å	1.12Å
C5A	H5A2	sing	1.09Å	1.11Å
OP4	P	sing	1.61Å	1.55Å
P	OP1	doub	1.48Å	1.48Å
P	OP2	sing	1.61Å	1.50Å
P	OP3	sing	1.61Å	1.50Å
OP2	HOP2	sing	0.97Å	0.95Å
OP3	HOP3	sing	0.97Å	0.95Å
C6	H6	sing	1.08Å	1.10Å
CA	CB	sing	1.53Å	1.56Å
CA	C	sing	1.51Å	1.58Å
CA	HA	sing	1.09Å	1.11Å
CB	HB1	sing	1.09Å	1.12Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.12Å
C	O	doub	1.21Å	1.35Å
C	OXT	sing	1.34Å	1.20Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4A	N	CA	118.2°	106.7°
C4A	N	H	109.1°	106.7°
N	C4A	C4	122.0°	109.5°
N	C4A	H4A1	107.8°	109.4°
N	C4A	H4A2	107.8°	109.5°
CA	N	H	109.0°	106.7°
N	CA	CB	108.5°	109.4°
N	CA	C	114.3°	109.4°
N	CA	HA	105.4°	109.4°
C2	N1	C6	119.2°	121.8°
N1	C2	C2A	117.3°	119.7°
N1	C2	C3	122.0°	120.7°
N1	C6	C5	123.7°	120.9°
N1	C6	H6	116.6°	119.5°
C2A	C2	C3	120.6°	119.7°
C2	C2A	H2A1	109.4°	109.4°
C2	C2A	H2A2	117.4°	109.4°
C2	C2A	H2A3	109.4°	109.4°
C2	C3	O3A	119.6°	120.4°
C2	C3	C4	120.0°	119.1°
H2A1	C2A	H2A2	109.4°	109.5°
H2A1	C2A	H2A3	100.8°	109.5°
H2A2	C2A	H2A3	109.3°	109.5°
O3A	C3	C4	120.4°	120.5°
C3	O3A	HO3	119.7°	106.8°
C3	C4	C4A	111.9°	120.9°
C3	C4	C5	118.3°	118.4°
C4A	C4	C5	129.5°	120.8°
C4	C4A	H4A1	107.8°	109.5°
C4	C4A	H4A2	107.7°	109.5°
C4	C5	C5A	126.2°	120.4°
C4	C5	C6	115.8°	119.2°
H4A1	C4A	H4A2	102.1°	109.5°
C5A	C5	C6	117.9°	120.4°
C5	C5A	OP4	111.3°	109.5°
C5	C5A	H5A1	111.5°	109.4°
C5	C5A	H5A2	111.5°	109.5°
C5	C6	H6	119.7°	119.6°
OP4	C5A	H5A1	111.5°	109.5°
OP4	C5A	H5A2	111.5°	109.5°
C5A	OP4	P	119.9°	106.8°
H5A1	C5A	H5A2	98.9°	109.4°
OP4	P	OP1	110.5°	109.5°
OP4	P	OP2	107.9°	109.5°
OP4	P	OP3	109.4°	109.5°
OP1	P	OP2	110.2°	109.5°
OP1	P	OP3	108.4°	109.5°
OP2	P	OP3	110.5°	109.5°
P	OP2	HOP2	107.9°	106.8°
P	OP3	HOP3	109.4°	106.8°
CB	CA	C	104.3°	109.5°
CB	CA	HA	115.2°	109.5°
CA	CB	HB1	112.6°	109.4°
CA	CB	HB2	108.5°	109.5°
CA	CB	HB3	112.6°	109.5°
C	CA	HA	109.4°	109.5°
CA	C	O	113.1°	120.0°
CA	C	OXT	126.2°	120.0°
HB1	CB	HB2	112.6°	109.5°
HB1	CB	HB3	97.8°	109.4°
HB2	CB	HB3	112.6°	109.5°
O	C	OXT	120.7°	120.0°
C	OXT	HXT	126.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4A	N	CA	H	125.3°	113.8°
N	C4A	C4	C3	120.8°	90.0°
N	C4A	C4	H4A1	125.3°	119.9°
N	C4A	C4	H4A2	125.3°	120.0°
N	C4A	C4	C5	65.7°	90.3°
N	C4A	H4A1	H4A2	113.3°	120.0°
C4A	N	CA	CB	178.2°	85.0°
C4A	N	CA	C	65.9°	155.0°
C4A	N	CA	HA	54.3°	35.0°
CA	N	C4A	C4	176.7°	180.0°
CA	N	C4A	H4A1	51.4°	60.0°
CA	N	C4A	H4A2	58.0°	60.0°
N	CA	CB	C	122.3°	120.0°
N	CA	CB	HA	117.8°	120.0°
N	CA	C	HA	117.9°	120.0°
N	CA	CB	HB1	54.7°	180.0°
N	CA	CB	HB2	180.0°	60.1°
N	CA	CB	HB3	54.7°	60.0°
N	CA	C	O	177.8°	0.0°
N	CA	C	OXT	3.8°	180.0°
H	N	C4A	C4	51.4°	66.2°
H	N	C4A	H4A1	73.8°	173.8°
H	N	C4A	H4A2	176.7°	53.8°
H	N	CA	CB	56.5°	161.2°
H	N	CA	C	59.4°	41.2°
H	N	CA	HA	179.6°	78.8°
N1	C2	C2A	C3	179.5°	180.0°
N1	C2	C2A	H2A1	54.7°	90.0°
N1	C2	C2A	H2A2	180.0°	30.0°
N1	C2	C2A	H2A3	54.7°	150.0°
N1	C2	C3	O3A	172.1°	180.0°
N1	C2	C3	C4	8.8°	0.0°
C2	N1	C6	C5	2.4°	0.2°
C2	N1	C6	H6	177.5°	180.0°
C6	N1	C2	C2A	179.3°	180.0°
C6	N1	C2	C3	1.2°	0.0°
N1	C6	C5	C4	1.4°	0.5°
N1	C6	C5	C5A	179.9°	179.9°
N1	C6	C5	H6	180.0°	179.8°
C2	C2A	H2A1	H2A2	129.8°	120.0°
C2	C2A	H2A1	H2A3	115.1°	119.9°
C2	C2A	H2A2	H2A3	125.3°	120.0°
C2A	C2	C3	O3A	7.4°	0.0°
C2A	C2	C3	C4	171.7°	180.0°
C3	C2	C2A	H2A1	125.7°	90.0°
C3	C2	C2A	H2A2	0.5°	150.0°
C3	C2	C2A	H2A3	124.8°	30.0°
C2	C3	O3A	C4	179.1°	180.0°
C2	C3	O3A	HO3	180.0°	90.0°
C2	C3	C4	C4A	162.0°	180.0°
C2	C3	C4	C5	12.3°	0.3°
H2A1	C2A	H2A2	H2A3	109.4°	120.1°
O3A	C3	C4	C4A	17.1°	0.0°
O3A	C3	C4	C5	168.6°	179.7°
C4	C3	O3A	HO3	0.9°	90.0°
C3	C4	C4A	C5	173.5°	179.7°
C3	C4	C4A	H4A1	4.5°	30.0°
C3	C4	C4A	H4A2	113.9°	150.0°
C3	C4	C5	C5A	173.0°	180.0°
C3	C4	C5	C6	8.6°	0.5°
C4	C4A	H4A1	H4A2	113.3°	120.0°
C4A	C4	C5	C5A	13.8°	0.3°
C4A	C4	C5	C6	164.6°	179.8°
C5	C4	C4A	H4A1	169.0°	149.8°
C5	C4	C4A	H4A2	59.6°	29.7°
C4	C5	C5A	C6	178.3°	179.4°
C4	C5	C5A	OP4	54.9°	179.5°
C4	C5	C5A	H5A1	70.4°	60.5°
C4	C5	C5A	H5A2	179.8°	59.4°
C4	C5	C6	H6	178.7°	179.7°
C5	C5A	OP4	H5A1	125.2°	120.0°
C5	C5A	OP4	H5A2	125.3°	120.1°
C5	C5A	H5A1	H5A2	117.4°	120.0°
C5	C5A	OP4	P	179.3°	180.0°
C5A	C5	C6	H6	0.2°	0.3°
C6	C5	C5A	OP4	123.4°	0.0°
C6	C5	C5A	H5A1	111.3°	120.0°
C6	C5	C5A	H5A2	1.8°	120.0°
OP4	C5A	H5A1	H5A2	117.4°	120.0°
C5A	OP4	P	OP1	60.4°	55.0°
C5A	OP4	P	OP2	179.1°	65.0°
C5A	OP4	P	OP3	58.9°	175.0°
H5A1	C5A	OP4	P	55.4°	60.0°
H5A2	C5A	OP4	P	54.1°	59.9°
OP4	P	OP1	OP2	119.2°	120.0°
OP4	P	OP1	OP3	119.8°	120.0°
OP4	P	OP2	OP3	119.5°	120.0°
OP4	P	OP2	HOP2	180.0°	60.0°
OP4	P	OP3	HOP3	180.0°	180.0°
OP1	P	OP2	OP3	119.8°	120.0°
OP1	P	OP2	HOP2	59.3°	180.0°
OP1	P	OP3	HOP3	59.4°	60.0°
OP2	P	OP3	HOP3	61.4°	60.0°
OP3	P	OP2	HOP2	60.5°	60.0°
CB	CA	C	HA	123.8°	120.1°
CA	CB	HB1	HB2	123.0°	120.0°
CA	CB	HB1	HB3	118.5°	120.0°
CA	CB	HB2	HB3	125.3°	120.1°
CB	CA	C	O	63.9°	120.0°
CB	CA	C	OXT	114.5°	60.1°
C	CA	CB	HB1	67.5°	60.0°
C	CA	CB	HB2	57.7°	180.0°
C	CA	CB	HB3	177.0°	59.9°
CA	C	O	OXT	178.5°	180.0°
CA	C	OXT	HXT	180.0°	180.0°
HA	CA	CB	HB1	172.5°	60.0°
HA	CA	CB	HB2	62.2°	59.9°
HA	CA	CB	HB3	63.1°	180.0°
HA	CA	C	O	59.9°	119.9°
HA	CA	C	OXT	121.7°	60.0°
HB1	CB	HB2	HB3	109.4°	120.0°
O	C	OXT	HXT	1.7°	0.0°

Definition date:	2002-03-18
Last modified:	2009-01-07
Release status:	OBS
Processing site:	RCSB
Replaced by:	PP3
Derived from:	1L6F