Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMTKKDTNISTQQPLWLQGYIDSPEKQNQLYKKTLKILIFSQIFGGAGLGAGITVGALLAQ------DMIGSENVAGIPTALFTFGSAVAALLIGASSQR-FGRRAGLAGGFLIGGLGAIGVIIAALINSVALLFVSLLIYGAGMASNLQVRY-AGTDLANE--KQRATAASMALVSTTLGAVVGPNLVNTMGEFADSIGVPNLAGPFIMSGAAFIIAGIILLIFLRPDPLFVS---TAIANAEKKDDK-----------------------------------------------VQIGGSLKNP-AIDKKGIMVGAVIMILAQLIMTAIMTMTPVHMGH-HGHGL----SEVGLVIGLHIAAMYLPSPLTGLLVDKFGRTTM-----AIASGATLLAAGLVAAIAP------ADSLSLLILALVLLGVGWNFGLLTGTALIIDSTHPSLRAKTQGTFDVLLALSGAAGGALSGMVVAHSSYTILSISGAVLSLLLIPVVIWYFRRIQEKA 4IKV Chain:A ((22-477)) --------------------------------PKGLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIAL---AIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGM---KYNFH---LGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPE-NETAYFGTIGGAALVL---------------

General information: TITO was launched using: RESULT: Template: 4IKV.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 : 1895 -256834 -135.53 -677.66 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -135.53 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_4IKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKV-query.scw PDB file : Tito_Scwrl_4IKV.pdb: