example
Distribution of the nucleosides in CSD

PROSIT Result:

Pseudorotational Phase Angle (P), Puckering Amplitude(νmax), χ, and γ for Nucleosides/Nucleotides

Input_File= E:\webpages\mole_sample.sd


ACADOS
Molecule
No.ν0ν1ν2ν3ν4PνmaxχγTYPE
1, {1'=2}
-26.55
37.14
-33.22
18.84
4.82
154.09
36.94
52.10
57.96
 ade, C2'-endo

AFCYPT
Molecule
No.ν0ν1ν2ν3ν4PνmaxχγTYPE
1, {1'=16}
-20.34
40.57
-42.71
32.49
-7.60
171.00
43.25
-159.69
69.94
 cyt, C2'-endo








Definition of Parameters:



ν0-ν4 : dihedral angles
PUR : purine type base (χ: O4'-C1'-N9-C4)


P : pseudorotation phase angle
PYR : pyrimidine type base (χ: O4'-C1'-N1-C2)


γ : O5'-C5'-C4'-C3'



Ade, Gua, Cyt, Thy refer to the bases in deoxyribonucleosides(tides), whilst ade, gua, cyt, ura refer to the bases in ribonucleosides(tides).


Alpha and Beta refer to alpha- or beta-nucleosides(tides).






Summary:


Number of Compounds read in: 2.

  • Compounds w/o 3D coordinates: 0.

  • Compounds w/ 3D coordinates: 2.

There are 2 nucleosides(tides) identified, of which

  • 1 have purine base and 

  • 1 have pyrimidine base.

    

  • # of nucleosides(tides) with Alpha-sugar: 0,

  • # of nucleosides(tides) with Beta-sugar: 2,

  • and # of nucleosides(tides) whose sugar configuration can't be determined: 0.



Normal termination of prosit.tcl at Tue Mar 23 09:10:25 EST 2004.