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



Input alignment information:
Query sequenceMRIRLLACSRVEYGRVGPLKQCFPLISPGLLAHTSSRDSVCASAEAHPVLSTTVVLLPSSLFSLCRCSVKASGEATVLNGEGGARVVSAVHQAHPHEPLVGLMTQPLPLSTILRHPLASKRCMMIFHQNGEETMELFELLSRYEAVGPIGQGSYGYVCSARDNDLVERFQAKPPEEYEDASLTLEEREEVYDTNTLVAIKKLRQLFENNQPRMWLCATREIQLMMAFQHDNVMSATDFFIPLGGVEMMTYDSILQLQHTFDGVYVVMKKMDYTLREVLDSTIVTAAELAPGYETWLRRLRLLMANCGEVNADVSSTPTPVRASRLNVKAEAQGEDQAAAAPHSSTEQSRSGGREDVEDEAGATVPSSLDYPVAAAAAAAAPTNDHDAPVAKTSTDGGFEGKGGGDDEGAPVCCPLTTVALHSLTRDYRKFILYQIFRGVGYLHLCPVIHRDLKPENIMLDRSYGTRITDFGQGRDVGLNATTDYVQTVLDNCTQWYAAPETLTVAINSPMGFIDHDSFHGVDVWSIGCIAAEMLIGRPLFYTTSMGGKSQLLSIFRVLGEPSASAIESIAEYRDKETRELFMNSVKKLVKTAPPSNTITPTLAELLRSPYGDEDEDEVGLIIDCLRWDPRERITIQAALQNPFFTKDGYDPVIDPEDTAKRVPSVRPEDISEPVSGRAFLWNLFLERHPEVKELWNSLVAKHEEELKVKKAAADT
1UA2 Chain:D ((13-298))-----------------------------------------------------------------------------------------------------------------------------------------------EKLDFLGEGQFATVYKARDKN----------------------------TNQIVAIKKI-----------NRTALREIKLLQELSHPNIIGLLDAFGH------------------KSNISLVFDFMETDLEVIIKDNS------------------------------------------------------------------------------------------------------------------------------------------LVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNR-AY---THQVVTRWYRAPELLFGA---------RMYGVGVDMWAVGCILAELLLRVPFLPGDS--DLDQLTRIFETLGTPTEEQWPDMCSLPDYVT----F-------KSFP-----GIPL----HHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNR--------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1410 -150921 -107.04 -550.80
target 2D structure prediction score : 0.50
Monomeric hydrophicity matching model chain D : 0.61

3D Compatibility (PKB) : -107.04
2D Compatibility (Sec. Struct. Predict.) : 0.50
1D Compatibility (Hydrophobicity) : 0.61
QMean score : 0.331

(partial model without unconserved sides chains):
PDB file : Tito_1UA2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1UA2-query.scw
PDB file : Tito_Scwrl_1UA2.pdb: