Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
4HLU Chain:C ((12-247))
-IELNSVSFRY-NGDYVLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGLLAAA-GEIFLDGSP-----ADPFLLRKNVGYVFQNPSSQIIGATVEEDVAFSLEIMGLDESEMRKRIKKVLELVGLSGLAAADPLNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKNEGKGIILVTHELEYLDDM-DFILHISNGTIDFCGSWEE-FVER---EFDDVEIPFKWKLWKKCG-------------------
General information:
TITO was launched using:
RESULT:
Template:
4HLU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135697 for 1895 contacts (-71.6/contact) +
2D Compatibility (PS) -25554 + (NN) -13358 + (LL) 2196
1D Compatibility (HY) -21200 + (ID) 4300
Total energy: -197913.0 ( -104.44 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4HLU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HLU-query.scw
PDB file :
Tito_Scwrl_4HLU.pdb
: