Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAKRLEQVALATKTAFVFPGQGSQKVGMLAELAEQFSGVGQTFAEASDALGFDLWHIAQSGE--GLDQTENTQPVLLTASIALWRLWLDLGG-LAPKYLAGHSLGEYSALVAAGSMSLADAVKLVNLRGKLMQNAVPQGEGAMAAILGLADDKVVELCRSVSASGQGSVEAANYNSQGQVVIAGSTASVQQVMALAK-EQSAKAIALPVSVPSHCSLMKPAAEKFAEALEQTAIELPTIPVIQNVNAEIATDVAQLRQALTAQLYQSVQWTRTMQSLQDQGIQYIVECGPGTVLSNLAKRLPKIEKAFSIDSKSKMEDALNAVLVAEGKIA 3TQE Chain:A ((6-314)) ------------QSFAFVFPGQGSQHLGMLAELGLQQPIVLETFQQASSALAYDLWALVQHGPQERLDQTQFTQPALLTADVAIFRCWE-ALGGPKPQVMAGHSLGEYAALVCAGALKFEEAVKLVEKRGQYMQEAVPVGEGAMGAIIGLNEAEIESICENAA--LGQVVQPANLNSTDQTVISGHSEAVDRALNMAKTEGAKIAKRIPVSVPSHCPLMQPAADRLAQDIAKISIDSPKVPVIHNVDVVDHNEANIIRGALIKQLVRPVRWVETIKYIEEQGIKVFMECGPDNKLAGLIKRIDRQS-EILP------LTTTELILTAIKRL-

General information: TITO was launched using: RESULT: Template: 3TQE.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 : 1909 -79271 -41.52 -259.90 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -41.52 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3TQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQE-query.scw PDB file : Tito_Scwrl_3TQE.pdb: