Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMKGIILAGGSGTRLYPLTKAISKQMLPIYDKPMIYYPLSILMLAGIKDILIISTPEDTPRFEQLLADSDQLGINISYAVQEKPEGLAQAFIIAEDFIGDDSVSLILGDNIYYGQGLSKMLQRASAKKAGATVFGYHVNDPERFGVVEFDESMKAISIEEKPTEPKSNYAVTGLYFYDNRVVEIAKSIKPSERGELEITDVNKRYLELGELDVELMGRGFAWLDTGTHESLLEASTFIETIERRQNLKIACLEEIAYRMGYIDEAAVEKLAEPLKKNAYGQYLMKLINK
4HOC Chain:B ((1-288))MKGIILSGGSGTRLYPLTKVVSKQLLPVYDKPMVYYPLSVLMLAGIKDILIISTPEDTPRFEQLLGGGSELGISLSYAVQSSPDGLAQAFIIGEEFIGDDNVALVLGDNIFYGHGFTELLQRAANRKSGATIFGYNVKDPQRFGVVEFDEKGKVISIEEKPEEPKSSYAVTGLYFYDNRVVDIAKNITPSA--ELEITDVNKAYLELGELHVELLGRGFAWLDTGTHESLLQASQFIETIEKRQSLKVACLEEIAYRMGYISREQLIKLAEPLMKNEYGQYLMNLAHR


General information:
TITO was launched using:
RESULT:

Template: 4HOC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -209952 for 2414 contacts (-87.0/contact) +
2D Compatibility (PS) -30649 + (NN) -14349 + (LL) -72
1D Compatibility (HY) -41200 + (ID) 11050
Total energy: -307272.0 ( -127.29 by residue)
QMean score : 0.652

(partial model without unconserved sides chains):
PDB file : Tito_4HOC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4HOC-query.scw
PDB file : Tito_Scwrl_4HOC.pdb: