TC5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	sing	1.53Å	1.50Å
C4	C3	sing	1.53Å	1.56Å
C3	N	sing	1.47Å	1.43Å
N	P	sing	1.68Å	1.86Å
P	O2	doub	1.48Å	1.52Å
P	O3	sing	1.61Å	1.78Å
P	OXT	sing	1.61Å	1.66Å
O3	C1	sing	1.43Å	1.46Å
C1	C2	sing	1.53Å	1.57Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
C5	H53C	sing	1.09Å	1.10Å
C4	H41C	sing	1.09Å	1.10Å
C4	H42C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C2	H23C	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	106.4°	109.5°
C4	C5	H51C	109.5°	109.5°
C4	C5	H52C	109.5°	109.5°
C4	C5	H53C	109.5°	109.5°
C5	C4	H41C	110.5°	109.5°
C5	C4	H42C	111.2°	109.5°
C4	C3	N	101.5°	109.5°
C3	C4	H41C	110.5°	109.5°
C3	C4	H42C	111.2°	109.5°
C4	C3	H31C	112.2°	109.5°
C4	C3	H32C	113.9°	109.5°
C3	N	P	123.3°	111.0°
N	C3	H31C	112.2°	109.5°
N	C3	H32C	113.9°	109.5°
C3	N	H	105.1°	111.0°
N	P	O2	114.1°	109.5°
N	P	O3	111.2°	109.5°
N	P	OXT	103.3°	109.5°
P	N	H	105.1°	111.0°
O2	P	O3	109.9°	109.5°
O2	P	OXT	112.1°	109.4°
O3	P	OXT	105.9°	109.5°
P	O3	C1	122.2°	123.0°
P	OXT	HXT	109.5°	114.0°
O3	C1	C2	109.6°	109.5°
O3	C1	H11C	109.4°	109.5°
O3	C1	H12C	109.4°	109.4°
C2	C1	H11C	109.4°	109.5°
C2	C1	H12C	109.4°	109.5°
C1	C2	H21C	109.5°	109.5°
C1	C2	H22C	109.5°	109.5°
C1	C2	H23C	109.4°	109.5°
H51C	C5	H52C	109.5°	109.5°
H51C	C5	H53C	109.4°	109.4°
H52C	C5	H53C	109.5°	109.5°
H41C	C4	H42C	107.1°	109.4°
H31C	C3	H32C	103.5°	109.4°
H11C	C1	H12C	109.6°	109.4°
H21C	C2	H22C	109.5°	109.5°
H21C	C2	H23C	109.5°	109.4°
H22C	C2	H23C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H41C	120.0°	120.0°
C5	C4	C3	H42C	121.2°	120.0°
C5	C4	C3	N	132.3°	180.0°
C4	C5	H51C	H52C	120.0°	120.0°
C4	C5	H51C	H53C	120.0°	120.0°
C4	C5	H52C	H53C	120.0°	120.0°
C5	C4	H41C	H42C	121.2°	120.0°
C5	C4	C3	H31C	12.3°	60.0°
C5	C4	C3	H32C	104.9°	60.0°
C4	C3	N	H31C	120.0°	120.0°
C4	C3	N	H32C	122.8°	120.0°
C4	C3	N	P	145.3°	135.0°
C3	C4	C5	H51C	99.8°	60.0°
C3	C4	C5	H52C	140.2°	60.0°
C3	C4	C5	H53C	20.2°	180.0°
C3	C4	H41C	H42C	121.3°	120.0°
C4	C3	H31C	H32C	123.2°	120.0°
C4	C3	N	H	94.7°	101.0°
C3	N	P	H	120.0°	124.0°
C3	N	P	O2	126.0°	180.0°
C3	N	P	O3	1.1°	60.0°
C3	N	P	OXT	112.1°	60.0°
N	C3	C4	H41C	107.7°	60.0°
N	C3	C4	H42C	11.1°	60.0°
N	C3	H31C	H32C	123.2°	120.0°
N	P	O2	O3	125.6°	120.0°
N	P	O2	OXT	117.0°	120.0°
N	P	O3	OXT	111.5°	120.0°
N	P	O3	C1	35.2°	70.0°
P	N	C3	H31C	25.3°	14.9°
P	N	C3	H32C	91.9°	105.0°
N	P	OXT	HXT	55.2°	60.0°
O2	P	O3	OXT	121.2°	120.0°
O2	P	O3	C1	92.0°	50.0°
O2	P	N	H	114.0°	56.0°
O2	P	OXT	HXT	178.4°	180.0°
P	O3	C1	C2	177.5°	180.0°
O3	P	N	H	121.1°	176.0°
O3	P	OXT	HXT	61.8°	60.0°
P	O3	C1	H11C	62.5°	60.0°
P	O3	C1	H12C	57.5°	60.0°
OXT	P	O3	C1	146.8°	170.0°
OXT	P	N	H	7.9°	64.0°
O3	C1	C2	H11C	120.0°	120.0°
O3	C1	C2	H12C	119.9°	120.0°
O3	C1	H11C	H12C	120.0°	119.9°
O3	C1	C2	H21C	90.1°	180.0°
O3	C1	C2	H22C	29.9°	60.0°
O3	C1	C2	H23C	149.9°	60.0°
C2	C1	H11C	H12C	120.0°	120.0°
C1	C2	H21C	H22C	120.0°	120.0°
C1	C2	H21C	H23C	120.0°	120.0°
C1	C2	H22C	H23C	120.0°	120.0°
H51C	C5	H52C	H53C	119.9°	120.0°
H51C	C5	C4	H41C	140.2°	60.0°
H51C	C5	C4	H42C	21.4°	180.0°
H52C	C5	C4	H41C	20.2°	180.0°
H52C	C5	C4	H42C	98.6°	60.0°
H53C	C5	C4	H41C	99.8°	60.0°
H53C	C5	C4	H42C	141.4°	60.0°
H41C	C4	C3	H31C	132.3°	180.0°
H41C	C4	C3	H32C	15.1°	60.0°
H42C	C4	C3	H31C	108.9°	60.0°
H42C	C4	C3	H32C	133.9°	180.0°
H31C	C3	N	H	145.4°	138.9°
H32C	C3	N	H	28.2°	19.0°
H11C	C1	C2	H21C	149.9°	59.9°
H11C	C1	C2	H22C	90.0°	180.0°
H11C	C1	C2	H23C	29.9°	60.0°
H12C	C1	C2	H21C	29.8°	60.1°
H12C	C1	C2	H22C	149.9°	59.9°
H12C	C1	C2	H23C	90.1°	NaN°
H21C	C2	H22C	H23C	120.0°	119.9°

Definition date:	2009-05-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2WIK