Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPALVLDPECRSDQQIASDFLTYLQSE-SSDRVAYELEPMRLRGGCDARLYRYKLID-EEPKVLRVLRPEREVEELMHHQLVHRTLNQQGLK-TPLIHRVCGDKT---VLGGVFAVMDLLPGQIVFAL-DPERHGKVLGESMAAMHGLDVRPIVESLR----RAGVPDERFLSPVFQHK---------VLGFF-E---QTTPWSADLMAW---LRDHLPLDGETLAVIHGDYHGGNVMVDNGSISGVLDWGF-CIADPAVDLAHTMNVYRVLVRQVDPAMSSQVCEQIIDGVLKTYQSIRPLNHERIKACRVFHLLSLLAAGVAGVGPEFVRKPESQRDYLSFIEQTTGIRLSPSA 3I1A Chain:B ((4-287)) ------------QPIQAQQLIELLKVHYG---IDI-HTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQ-QQLRKEIYSPKWREIV-RSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW---------N-KPHEIQYFYEGYGEINV-DKTILSYYRHERIVE---------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 988 -34229 -34.64 -133.71 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -34.64 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: