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


Input alignment information:
Query sequenceMSGSQLHSATAAATMTSTAVSSASAEPSPPTGSSSTAIMSSSLTALAQQQQRLLVSSLLPCDGPLQYVDPTADGLPGTSPSCSEEHNSCTRPDAAQQDRAVSMRVPHATAHERSEHASNDPGPSPPFLPAAEERLTGRSPDAADATSHLDHDGAADCATSSSSTATASTISMHITETCVLKDTLPAPPMQDQSSSEGGVDATAARYSSSPLVNAGSDATLTMTGMRSATPSSPLKAQSNSLQPKESAKVAIDAVSRGSAGQQPSASGGLTTMMTTATSTNTTTAARGLPRTMLPDTLSACTTMKGSETLSSQAGSLMLPLSDGTPPSCSMKAATAALSGPRREKRRPPSLFSSSPATTSLTVATRPVLITPAVSRQEDRSLTTSVTQTASSVSQTNQPLHGQVQRPPAPLPRTPGAPSPLSSTLVSSALPTHGDGGVEEDADGERLSTLVVRRDLHELAATRLPMNPASYAPVHVKLPAVLPTTSPPLRSGRPAHPIAAQQHRAACESQGGLTGSSGASTAAHHSAAGATTPAAIAPVSTPSSVTMFHYGSFQAGYASTAAAGGAVTPNATPLLSNSSLCGFANYCGAGSLGSGSAPAASLSTATSTACANRLQPPSAARLSVTGMGGGGGGAVAGVLSPLSLSGAAATARTVRRRAPPPLLFRLRSPVGPAPPSTAVSANDTSGEMTSPGSVAPPSSASRTATSAAAAAASAGACSSVLTTPPLNSRSMGMTMNSGSASDLASTMADRPARGSGCNPPATPARSGPFARAHGSVAQNLNTFSSSTRSGGLVRISHDRRTLVAGMFRVSRDGCLTVRNMLLLNPTRIDAGSATGGAAGPGCTCGSFMGSSTTGTGGGGSRSRPLQLLHPQRSATNYSPVSSNGGLVGRMQLLGPGGGNDLGGGGGAGGGAGGLGPMTPNTTGSDWYSPHAYHGGGGGSGNTRNDXXXXGGKRGGANTTANASFTLFSTSMDTPFSPITYSMDSQRLALPSPLGVHHDRAGAAAGPPPQLLGTVCENTATSHFLGASGSPHQQPQPHDGLLPGSHHVTETNASPTRNLGFGMVTGGAAAAAQQQVATPNSTTALGRPSGGSGGNICHAQLRRQASNGWLPGALGATNTASPPPFAAAGGAGGMLNAGAFTDTDTANSLLLPYADIPTYRGGIASATAGSRVDSPSGHTNPGGFRTTTTAATATTAAAPMMGGSGATQNTSFPPLPPNVVRLRDLDILSTTCGEGASATVFVAIHKPTGRRLAVKRVDLSPLCLGCSSPFLRSGAVSSGRINQLQRIVVRELQVLHLTYRSPFMVKVYNAFFLAEVAALDIVMEFMHYGSLDHLADCLQQHARMVRGSQQERHRLLTGDDDQDDGDGGGHSGRCGSVHGGSPSVPPLLCDAPEAPQVTEGFLKDTSAAGVGRSGTGGDTERRPSITSTSPKLLDSQRTLAERAPPSAPRPCISRVVDTTGSSDVDSIACGSGGVPCHPLTGGYKHIYGSNDSLLLDSYSVKSDCGTDDSESDDGSGLVEEPLGVTERLVAVVGEQLLRGVRDMHSRGYIHQDIKPGNVLVNE--HGVVKLSDFGLSQRCDSTGLGIKNDMLTYVPPPSVAPAQSITPLQSPSLTVLPLTGARGRRAPFVWHAQRGSIGAGISGQLGSGMVGTTPPEMGSSAEGLVFSSTTNSLLAQRDGMDVLEAESTSSEEGPGEWDATRRGRSGLNPSSSSSDDAGDCCGTDKYMSPERQRGEPYGKPADIWAVGVTLAEFAVGEYPYDLKDVIDEFDRVSRMDKPVDVLQFNKHRAVPLGTVFADFCRLATLPTASQRPTAQELLEHPFFKQWHRPFNLKDYLAARVPVPSNRLKEDYLAKQRERPPEGQQPAGPPG
1TKI Chain:A ((22-282))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKYMIAE-DLGRGEFGIVHRCVETSSKKTYMAKFVKVKGT---------------------DQVLVKKEISILNI-ARHRNILHLHESFESM--EELVMIFEFISGLDIFERIN---TS------------------------------------A-----------------------------------------------------------------------------------------------------------------------------------------------FELNEREIVSYVHQVCEALQFLHSHNIGHFDIRPENIIYQTRRSSTIKIIEFGQARQLKPGD------------------------------------------------------------------------------------------------------------------------------------NFRLLFTAPEYYAPEVHQHDVVSTATDMWSLGTLVYVLLSGINPFLAETNQQIIENIMNAEY-----TFDEEAFKEISIEAMDFVDRLLVKERKSRMTASEALQHPWLKQKI-------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1TKI.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 : 1215 -72561 -59.72 -280.16



3D Compatibility (PKB) : -59.72
2D Compatibility (Sec. Struct. Predict.) :
1D Compatibility (Hydrophobicity) :
QMean score : ?

(partial model without unconserved sides chains):
PDB file : Tito_1TKI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1TKI-query.scw
PDB file : Tito_Scwrl_1TKI.pdb: