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



Input alignment information:
Query sequenceMADGYHNKPAAPKVGQRFGPYQVGDTIGRGTFAKVKIGYHETTKVRVALKIISRKLMESDARSALKIKREIKIMRVLRHPHITRLYDVVKTKHDIVLAMEYVSGGELFDYVTCKGRLEEPTARALFQQLTAAVAYCHRYRVTHRDIKPENIMMEHGCHSVKLSDFGLSSITHDGRFFETSCGTPNYASPEVVSGRLYGGPEADVWSCGVVLYAMLCGTLPFDDSNIALLFKKIQTADYAIPSHVSAQARDLLHRVLVVNPLERATMEQVMQHPWLRPDFPRYLLSLHFAAIVETTRFASTYYLTEDMLDEEVVRVVASRFRVSPQEVASIIMSEEERIPSMRAVISDEDNPNSMARRYPAANYFEMYSNVLDSKLWPTPVEIAAAEVALRDEAHDIYVSYVILTQKKQNKLAPQEHAANPSFGESANSLLQSQAQQGYGSLNANSLQQLTGNSSFTGLSFKETSSRSHTDASSSPASKKSNHHNGKTLQNLSSPLQHIMNSTVPAAPPGDPWQSGYNVVAAPFLPLHAKGATGTVLGQLLRVQELPVQLLMSRRITVKPVKKEASSTMFLSPGLPKSTPGFDCISDTGAAPTSMPTAPQGNLLQPQRSPTTRTRSAAPTLLHPHSKVEVGLSDPHSPIPTGRPMRSIGADARHNLATAGGETALDTLYHAETVTRFGNDFIRNGVAFVNSTSHETLQEVYEAMKEEGLLWKVIYDYYFSVVRYPNIKLQVKVYKTKSDEQLVDVKVSAQSGMAAYDVALSLLERLRTRAVNKRNTQIRESHASALTPDTT
2QNJ Chain:A ((54-307))------------------GNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQL--NPTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLVAHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMN-IKIADFGFSNEFT-----DTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWI-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2QNJ.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 : 1186 -145179 -122.41 -583.05
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -122.41
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.497

(partial model without unconserved sides chains):
PDB file : Tito_2QNJ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2QNJ-query.scw
PDB file : Tito_Scwrl_2QNJ.pdb: