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



Input alignment information:
Query sequenceMMNLSKVCKGVRQLKKYGPFLAIFFIALAFLMPHLFTHKLILGADAPFHYNRFYDAAQQIKYGDFHYFPSLYGFQQSGRIVNAVYGPFFAYLQGLIVLLAGSWFHYQILSNFILYLISGFSMLILLRYVNVRNWVSVPVAVLFMSTYSIQYWSINQGFTSWGTCFYPLCMIPIADFVLHKKFPVIKVAVSVGLMTQIHLLSSIMLALMYIPFYLYYFFNQTEKGKALLQLIKSVLLYFVLTANIWAGLAIVYSGNKILPPFVNREMSQKAIDLDGSYWLHYPKAFPILILSGFLLFIFFQQKNTLFQKIVLYTSLVFFFLSTSLIPWTTLIEKNVPFISLIQFPFRFFVPFTLLLLLYLALSLNQWSEQKWFRLLSIFGILIFSAQTIQNLYQHLEKWENETFVSRHTYLFDTPEEARKTFFSKDMSTSLFVFQKTTPDYLPIYKETKDNKYDRYNEEILENETTFIKTHPGGLLTIKWKNTGDKTVHIPVIVYDRTVLQQNGKTLTDYEVTDIGTPIVKQQKGINELTLHYQTPIYFYFILSLTLIGWFTLLCLFIYHRYKLLRA
4AZT Chain:A ((228-324))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------INDFNQPFQHWQN---------------RSRRYFFGEDYVCKFFYYD--MPHGILTAEESQRNKYE------LHNEIKFLTQPPAGF--------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4AZT.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 : 134 -5347 -39.90 -83.55
target 2D structure prediction score : 0.30
Monomeric hydrophicity matching model chain A : 0.42

3D Compatibility (PKB) : -39.90
2D Compatibility (Sec. Struct. Predict.) : 0.30
1D Compatibility (Hydrophobicity) : 0.42
QMean score : 0.309

(partial model without unconserved sides chains):
PDB file : Tito_4AZT.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AZT-query.scw
PDB file : Tito_Scwrl_4AZT.pdb: