Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKQIEFFFDFGSPTTYLAWTQLPRIAAAHGASIAWRPMLLGGVFKATGNHSPIEVPAKGRYTLHDLARYAKRYGVPLAFNPAF-----PINTLTLMRGAQGYLG-G-EGFQPYLKAVFEALWVRQQNLGKPEVVAQVLAEAGFDPDEFLRLVG---DEQVKEGLKATTEEAVRRGVFGAPSFFVG--DQ--LFFGQDRLDFVAEVLAG
3RPP Chain:A ((4-211))
LPRTVELFYDVLSPYSWLGFEILCRYQNIWNINLQLRPSLITGIMK----KPPGLLPRKGLYMANDLKLLRHHLQIPIHFPKDFLSVMLEKGSLSAMRFLTAVNLEHPEMLEKASRELWMRVWSRNEDITEPQSILAAAEKAGMSAEQAQGLLEKIATPKVKNQLKETTEAACRYGAFGLPITVAHVDGQTHMLFGSDRMELLAHLLGE
General information:
TITO was launched using:
RESULT:
Template:
3RPP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131950 for 1455 contacts (-90.7/contact) +
2D Compatibility (PS) -20306 + (NN) -6728 + (LL) -56
1D Compatibility (HY) -14000 + (ID) 2650
Total energy: -175690.0 ( -120.75 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3RPP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RPP-query.scw
PDB file :
Tito_Scwrl_3RPP.pdb
: