Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTENHLMIERQGKLGVITLDRVTHLNALSLDMIEGIGAQLELWRNDAAVQAILIKSNSPKAFCAGGDIRYLYDSYKNGTADYKGYFSAEYKMLNTLREYEKPIIVVLDGYVLGGGFGLAQACHIVVSSEKSRFAMPETAIGFFPDVGATHFLSRLD-DIGVYMAITGEQISSSDALYLDLIDYHVPSEQLQALQDALVEAPSLSKEGIEHIITRF-----ITRPAESELKQLAEGIRKHFGFQHLDEIEQSLENEQDESLKTWASKMLSILQQRSFIAKQTSLKLQHLGRGLSLQQCMQLERDLQDIWFEHGDFIEGVRALIVDKDKQPRWQERNPELEQILEKLS 3BPT Chain:A ((8-330)) ------VLLGKKGCTGVITLNRPKFLNALTLNMIRQIYPQLKKWEQDPETFLIIIKGAGGKAFCAGGDIRVISEAEKAKQKIAPVFFREEYMLNNAVGSCQKPYVALIHGITMGGGVGLSVHGQFRVATEKCLFAMPETAIGLFPDVGGGYFLPRLQGKLGYFLALTGFRLKGRDVYRAGIATHFVDSEKLAMLEEDLLALKSPSKENIASVLENYHTESKIDRDKSFILEEHMDKINSCFSANTVEEIIENL--QQDGS--SFALEQLKVINKMSPTSLKITLRQLMEGSSKTLQEVLTMEYRLSQACMRGHDFHEGVRAVLIDKDQSPKWK--------------

General information: TITO was launched using: RESULT: Template: 3BPT.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 : 1839 -118706 -64.55 -374.47 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -64.55 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_3BPT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BPT-query.scw PDB file : Tito_Scwrl_3BPT.pdb: