Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MSFFRNQLANVVEWEEFRDDMIFYKWN--NREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDI--ESEIIPFLST---LKGFKFGFNSGMRAEVLFV-----------NTKEFTVRWGTKQAINIPAAGMPGGMPIRANGTFNFKVQDYISLIDKI-----------AGVKDQYFVEDIKTRIISILDQLLMKWITREGKDMFNLQANAFDIAKG---IQEDLDMQLISDGMTVTGFQIMSFNYPQEV----QDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 3THI Chain:A ((1-362)) ITLKVAIYPYVPDPARFQAAVLDQWQRQEPGVKLEFTDWDSYSADPPDDLDVFV---LDSIFLSHFVDAGYLLPFGSQDIDQAEDVLPFALQGAKRNGEVYGLPQILCTNLLFYRKGDLKIGQVDNIYELYKKIGTSHSEQIPPP-QNKGLLINMAGGTTKASMYLEALIDVTGQYTEYDLLPPLDPLNDKVIRGLR-LLINMAGEKPSQYVPEDGDA--YVRASWFAQGSGRAFIGYSESMMRMGDYAEQVRFKPISSSAGQDIPLFYSDVVSVNSKTAHPELAKKLANVMASADTVEQALRPQ---ADGQYPQYLLPARHQVYEALMQDYPIYSELAQIVNKPSNRVFRLGPEVRTWLKDAKQVLPEALG

General information: TITO was launched using: RESULT: Template: 3THI.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 : 1548 -98303 -63.50 -314.07 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -63.50 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_3THI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3THI-query.scw PDB file : Tito_Scwrl_3THI.pdb: