Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNS------IINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSD-LLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSIL-ETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPN-PHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM 4YT3 Chain:A ((14-382)) -----------------KTRTEEFSPYAWCKRMLENDPVSYHEGTDTWNVFKYEDVKRVLSDYKHFSSVRK---------VPEKIQITESDPPDHRKRRSLLAAAFTPRSLQNWEPRIQEIADELIGQMDG-TEIDIVASLASPLPIIVMADLMGVPSKDRLLFKKWVDTLFLPF----QEEVDKL----KQVAAKEYYQYLYPIVVQKRLNPADDIISDLLKSEVDGEMFTDDEVVRTTMLILGAGVETTSHLLANSFYSLLYDDKEVYQELHENLDLVPQAVEEMLRFRFNLIKLDRTVKEDNDLLGVELKEGDSVVVWMSAANMDEEMFEDPFTLNIHRPNNKKHLTFGNGPHFCLGAPLARLEAKIALTAFLKKFKHIEAV--------------------

General information: TITO was launched using: RESULT: Template: 4YT3.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 : 1528 -196353 -128.50 -575.82 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -128.50 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_4YT3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YT3-query.scw PDB file : Tito_Scwrl_4YT3.pdb: