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



Input alignment information:
Query sequenceMLFKKDRKQETAYFSDSNGQQKNRIQLTNKHADVKKQLKMVRLGDAELYVLEQLQPLIQENIVNIVDAFYKNLDHESSLMDIINDHSSVDRLKQTLKRHIQEMFAGVIDDEFIEKRNRIASIHLRIGLLPKWYMGAFQELLLSMIDIYEASITNQQELLKAIKATTKILNLEQQLVLEAFQSEYNQTRDEQEEKKNLLHQKIQETSGSIANLFSETSRSVQELVDKSEGISQASKAGTVTSSTVEEKSIGGKKELEVQQKQMNKIDTSLVQIEKEMVKLDEIAQQIEKIFGIVTGIAEQTNLLSLNASIESARAGEHGKGFAVVANEVRKLSEDTKKTVSTVSELVNNTNTQINIVSKHIKDVNELVSESKEKMTQINRLFDEIVHSMKISKEQSGKIDVDLQAFLGGLQEVSRAVSHVAASVDSLVILTEE
2W31 Chain:A ((3-150))--------------------------------TMQEIKAHYRFTDEDAELLGSLFPLAETNKERLADQFYDYLLGIPETAEFLKEDLVLQKLKQTHQDWFVSLFAGSYDNRYIHNLQKIGHAHVRVGLNAHYVNVAMNVVRQFTLSIIQDNFPDPEERRQRREAVEKILDINLDIMSASY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2W31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 488 -77763 -159.35 -525.43
target 2D structure prediction score : 0.77
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -159.35
2D Compatibility (Sec. Struct. Predict.) : 0.77
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.650

(partial model without unconserved sides chains):
PDB file : Tito_2W31.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2W31-query.scw
PDB file : Tito_Scwrl_2W31.pdb: