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



Input alignment information:
Query sequenceMRAYLDLLQHILDNGGDKGDRTGTGTRSVFGHQMRFDLSKGFPLLTTKKVHFRSIVIELLWFLKGDTNVKYLQDNKVTIWDEWATAEQTARFGRPEHELGPVYGHQWRNFGATKNADGTYNQDGFDQIKWLINEIKTNPNSRRLIVSGWNPNEAGQVALPPCHTLFQFFVQDNKLSCQLYQRSADVFLGVPFNIASYALLTHMIAQVCGLGVGDFVWTGGDIHLYANHFEQAKLQLMREPLPLCQLKLNPDVKDIFDFKFEDIEIVGYESHPAIKAPVAV
2KCE Chain:B ((1-264))MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENG---------DLGPVYGKQWR---AWPTPDGRH----IDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI


General information:
TITO was launched using:
RESULT:

Template: 2KCE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1304 -186942 -143.36 -708.11
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain B : 0.91

3D Compatibility (PKB) : -143.36
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.91
QMean score : 0.545

(partial model without unconserved sides chains):
PDB file : Tito_2KCE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2KCE-query.scw
PDB file : Tito_Scwrl_2KCE.pdb: