Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MEKKNIT---------------LTILLTNLFIAFLGIGLVIPVTPTIMNELH-----LSGTAVGYMVACFAITQLIVSPIAGRWVDR-FGRKIMIVIGLLFFSVSEFLFGIGKTVEMLFISRMLGGISAAFIMPGVTAFIADI--TTIKTRPKALGYMSAAISTGFIIGPGIGGFLAEVHSRLPFFFAAAFALLAAILSILTLREPE------RNPENQEIKGQKTGFKRIFAPMYFIAFLIILISSFGLASFESLFALFVDHKFGFTASDIAIMI----TGGAIVGAITQVVLFDRFTRWFGEIHLIRYSLILSTSLVFLLTTVHSYVAILLVTVTVFVGFDLMRPAVTTYLSKIAGNE-----QGFAGGMNSMFTSIGNVFGPII---GGML--FDIDVNYPFYFATVTLAIGIALTIAWK-APAHLKAST---------------------------------------------------------- 4IKW Chain:A ((3-494)) SIDKQQIAASVPQRGFFGHPKGLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPENETAYFGTIGGAALVLGLILLAIAPRIGRLMKG

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 : 1570 -225779 -143.81 -580.41 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -143.81 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.267

(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: