Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYPNGKLSEEKVFKDPVHRYVHVRDKLIWDLIGTREFQRLRRIKQLGTTYLTFHGAEHSRFNHSLGVYEIVRRMVDDVFKGRPEWDDSERE-LCLA-AALLHDLGHGPFSHSFE------------------KVFHLDHEDFTRGI--------ILGDTEVNQVLRKVSPGFPQDVAEVIAKTYKNK--------QVVSLISSQIDADRMDYLQRDAYYTGVSYGHFDMERILRVMR----PREDQIVIKESGMHAVEDYIMSRYQMYWQVYFHPVTRSAEVILTKILHRAKQLHDEGYVFTHAPVHFYSIFEGKLTLEDYVKLDESIILYYFQAWEDE-EDAILSDLCRRFINRQLFQYVEFNPNEEMSAYFELTSLFKEAGIDPSYYLVVDSSSDLPYDFYRPGEEEERLPIHLLTQNGQIKELSRQSAIVESISGKRRTDHKLYYPKDLICDGTKHPEAKMKIRQLLGLT 5AO2 Chain:A ((24-390)) -----------KVINDPIHGHIELHPLLV-RIIDTPQFQRLRYIKQLGGGYYVFPGASHNAFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQIVGPL-------LW-PYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHLGIQ-NNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRAYQHKVGNIIDTMITDAFLKA----DDYIEITGAGGKKYRISTAIDDMEAYTKLTDNIFLEILYSTDPKLKDA--REILKQIEYRNLFKYV----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AO2.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 : 1411 -68325 -48.42 -232.40 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -48.42 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_5AO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AO2-query.scw PDB file : Tito_Scwrl_5AO2.pdb: