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



Input alignment information:
Query sequenceMNPSSKRHAYEPLPQQQQQQHPTNPPPAYQHHRVSTGTGRESPALPQLSPNSMSAVTNIAEPSSSPALISTSAASSNLVPIFQGREDSAAASRRGGDGNSEVHPHPAEVSETYPGASTAAAQSMALAVVPFTGTSGVGVGVSAPQRCDPRVGGADQEGKNTGVGGDDVGYYSGPSPYGKLAPLSLSTERVCPHCLRPYDVFDDGEGVFDPATFFRVDATTRSSSIQPSPSHPKLLPPPSHEGDEQQKQQPSTSPRLYTEGAGDGGAAAGQLLCSRSSTAAGLDDSSSDGTNRSGNYITAVHPPAAAFTSHYFRALPPPSFIIAAGARGASAPLAIEDYRPSPLIGSPRDEKVEARQPFALAPALASDNGGGGGNSSGTLVCKVAAVPHYSYVWPITCTGMRSQVRLLQQGDSSEKTAAEMEGGKEESPSCESGSPVCSPTAATPSPNNGYYRHYFKELRQLGRGTYGGVYLCRHVMCGVNLGEFALKKIPVGDKVTYLQSVLREVRILEEVRRHPNVVEYKHSWVEEAQLADFGPPVRCLFILMEYASAGSLDTYLERYGNNLSTLAVWYFFLSSVAGTAHLHEKHILHRDLKPQNLLLAATKDRPPRVLVSDFGTAALLDDILYDRSGGTGTLEYMAPELLETTASPRGANERYVNHHTMASDVWSLGMVLHYLAFDGALPERHEDGSVN---LDKAR--------HSANARPPEMLRLLEAMLQLDPAKRPRCCDILASPMVQSIMRIFNKDDHSQWDLSIQRQQQLSATSPSAILPLERPPRPPVPAPAPRSAPLNALEAHSIDDSSSPRGARSRNAIAAISTSSQGRGVRADSTNLEDKSNTLQSSRVELLSASTLVDLSTAMARAGSSSSSNGSPLAMKLPPPRPSTVISQHGRQQQQRAHVVAGLPKTLASSNTFQFSDSPSPRRVNVGVQTNPVVIVEKQQRHA
2QR8 Chain:A ((20-284))------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTDGYEVKEDIGVGSYSVCKRCIHKATN---MEFAVKIIDKSK-----RDPTEEIEILLRYGQHPNIITLKDVYDDG----------KYVYVVTELMKGGELLDKILRQK-FFSEREASAVLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGLLMTPCYTANFVAPEVLERQ------------GYDAACDIWSLGVLLYTMLT-GYTPFANGPDDTPEEILARIGSGKFSLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWIVHW------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2QR8.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 : 1098 -116265 -105.89 -457.73
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : -105.89
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.427

(partial model without unconserved sides chains):
PDB file : Tito_2QR8.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2QR8-query.scw
PDB file : Tito_Scwrl_2QR8.pdb: