Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFVFNGFYTLISAVIVLLLGRFLVNRIDFLERYNIPEPVAGGLVAAVVSL-LVHTFWGYSIVFSSELQTSFMLV--FFASIGLSAN----FMKLKEGGTALVIFLICVASFIVVQNAVGMSLATLLGLDPLIGLIAGSITLTGGHGTAGAWGEILESQHGIQGALALGMASATFGLIMCVIGGPLAKLLINRYSLAQAK---TNAEIQQRDTHVEQNSDDLAPFENPHQVRLITADNAITTLGMFAACLAFAEFMTGFSKGTWFELPTFVWALGGGVILRNILESVLKV------DIFDRAIDVFGNASLSLYLA--MALLSLKLWQLADLAGPLVVILVAQTLTMA--------LYAAFVTFRVMGKNYDAAVLAASHCG----FGMGATPTAVANMQ-AITNMYGPSHKAFLI-VPLCGAFFVD--LINATVIQLMLKFIA 5AB5 Chain:A ((19-425)) -----------SQVVRIVGVGR---TGIGKLHK-SVDELAASALKCALVDANMKQCDLQALIAVPSLASPQFMQAHHIATVAGLFPTKGKFIVRTVDTGGAGPITALGMAVDLVRTRCA--ETVAVIAADAVLSMGSGAFAERSNASLRRSGLPEPCIPHGYDRYAQWYMSRYGLKREQLAMVPVLMSKMAERHPEAMCQKAYTLDEVLHSRCVA------------PVTNLLECARRADGAVALIVSG--EAHYAEHFAQGK----QEQRHLGGSKPIIASVAEASGPLFPPGSSDDIVPDIFSCRHAARDAFLSANLNVGDIHFFGLYDCF-PICLIQAVEAVGLCPEGKGGEFMETAYNEMLNNGGVLDPSKFPINTHGGLQCFGAPWEVPAMYNITEAIAQLSEEAGDRQLTPVPKRALVYGNGGIFSASSVAILISDL-

General information: TITO was launched using: RESULT: Template: 5AB5.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 : 2162 -183725 -84.98 -492.56 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -84.98 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_5AB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AB5-query.scw PDB file : Tito_Scwrl_5AB5.pdb: