Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MNRIFFILVAAGVPLSVIGSLMHWPSAV-----LFAVYCVTIIALASYMGRATESLSIIAGPRIGGLLNATFGNAVELIISLFALK-EGLTGIVLASLTGSVLGNLLLVAGLSFFVGGLKYKRQEFNIHDARHNSGLLIFAIIVAFVIPEVFSVGMGNASKLNLSIGISIIMILLYVAALYFKLVTHRGV-----YQPN--NAAQTEEEEEPEWSGKVATIVLFAATIVVAYISENLVHTFHSVAEQFGWSELFIGVIIVA-------------IVGNAAEHASAIIMAFKNKM--------DIAVEIAVGSTLQIAMFVAPVLVICSIFFPTSMPLVF--------TLPE--LVAMVSAVLLMIAISNDGD---SNWFEGATLLAAYVIMAIGFFLL------------------------------------------------------------------------------ 4IKW Chain:A ((3-494)) SIDKQQIAASVPQRGFFGHPKGLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDM------YKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFT---VETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPENETAYFGTIGGAALVLGLILLAIAPRIGRLMKG

General information: TITO was launched using: RESULT: Template: 4IKW.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 : 1330 -256880 -193.14 -751.11 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -193.14 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.198

(partial model without unconserved sides chains): PDB file : Tito_4IKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKW-query.scw PDB file : Tito_Scwrl_4IKW.pdb: