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



Input alignment information:
Query sequenceMDAAIDGRAQSAEERMLRDALGEQLEGELRIISREPFGGGALTGFEELSPQARYWYVDTSGKRVEAETGFVLGDPGRPDARIWLHPADPRLPALAPASFPAAAATLMGRLGVSIDRPPELLVYRPGKRAMFRMRAGERETYLKIVRPSASGSIVELQESLRAGGVPVPHITGWSELGIVLTETADGVPLTSRLAELEPDRLLD--SIDALRERIAAVDTGRDARASLALRHDWYLARIDAALARAAEGDPAVAPSAVLRDHLAAVTAVVTGADASALVVDEAERRTIHGDLHVGQLFVDADDASAIAGVIDIDTA-GLGDPADDEAALIAHLIASIA---LARRD--EGRSAGFRRLLDAAAARWLAPGRPGRARVAHRTAVHVLAHALAPIERGDLETAEVELALGRDI---LRDADERPLI
5LJ3 Chain:H ((11-481))--IKFQRENWEMIRSHVSPIISNLTMDNLQESHRDLFQVNILIGRDIICKNVVDFTLNNGRLIPALSALIALLNSDIPDIGETLAKELMLMFVQQFNRKDYVSCGNILQCLSILFLYDVIHEIVILQILLLLLEKNSLRLVIAVMKI------CGWKLALVS---KKTHDMIWEKLRYILQTQELSSTLRESLETLFEIRQKDYKSCENFNELTMAFDTLRQKLV-------EFKKKIYLVLKSSLSGDEAAHKLLKLKIANNLKKSVVDIIIKSSLQ--ESTFSKFYSILSERMITFHRSWQTAYNETFEQNYTQDIEDYETDQLRILGKFWGHLISYEFLPMDCLEESCPQGRIFIKFLFQELVNE--LGLDELQLRLNSSKL-DGMFPLE-GDAEHIRYSINFFTAIGLGLLTEDMRSRL


General information:
TITO was launched using:
RESULT:

Template: 5LJ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1512 -74399 -49.21 -191.75
target 2D structure prediction score : 0.45
Monomeric hydrophicity matching model chain H : 0.62

3D Compatibility (PKB) : -49.21
2D Compatibility (Sec. Struct. Predict.) : 0.45
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.152

(partial model without unconserved sides chains):
PDB file : Tito_5LJ3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5lj3-query.scw
PDB file : Tito_Scwrl_5LJ3.pdb: