Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRI-QEIAETFGEGHL---GFKFIPIITRDPSAPLHERLPVLIENGELEKVAGL-ELSPASSHVMLCGNPQMVDDTKEALKRCGLTMNRRGEGNIAVENYW 5THX Chain:A ((12-248)) -----FNTQKVLSVHHWTDAYFTFTCIRDESLRFENGQFVMVGLMADGKPLMRAYSVASANWEEHLEFFSIKVQDGPLTSRLQHLKVGDEVLISKKPTGTL-VACDLNPGKH-LYLLSTGTGIAPFLSITKDPEIYEQFEKIILVHGVRYKKDLAYYDRFTKELPEHEYLGDLVKEKLIYYPIVSRE-EFEHRGRLTDLMVSGKLFEDIGLPKINPQDDRAMLCGSPAMLKDTCKVLDDFGLTVS-------------

General information: TITO was launched using: RESULT: Template: 5THX.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 : 1249 -107866 -86.36 -464.94 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -86.36 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.602

(partial model without unconserved sides chains): PDB file : Tito_5THX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5THX-query.scw PDB file : Tito_Scwrl_5THX.pdb: