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


Input alignment information:
Query sequenceMVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFGFTEYQYLGSCPGSDGSVITDTLSPASSPSSVTYPVVPGSVDESPSGALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLVYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDIEDSETADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY
5AZT Chain:B ((5-267))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KSLAKRIYEAYLKNFNMNKVKARVILSGKASN-PPFVIHDMETLCMAEKTL-----------KEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLLPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRD--


General information:
TITO was launched using:
RESULT:

Template: 5AZT.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 : 1074 -180132 -167.72 -717.66
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain B : 0.78

3D Compatibility (PKB) : -167.72
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.754

(partial model without unconserved sides chains):
PDB file : Tito_5AZT.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5AZT-query.scw
PDB file : Tito_Scwrl_5AZT.pdb: