Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSNKMTATDLKETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPS-EKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIY-LFSQLNAVGNFATGTIATDPLNDSQVAVIASISKEMPGISISTSWDRKV-LETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYGNMESVDTIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYSEGVYAVALNPKTGAVLSMSGIKHDLKTGELTPDSLGTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQSIVFQGSAPINSWYTQAYGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFV-PKEYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLIQQLQPTEMNKVNISDSDMSILHQGFYQVAHGTSGLTTGRAFSNGALVSISGKTGTAESYVADGQQATNTNAVAYAPSDNPQIAVAVVFPHNTN----LTNGVGPSIARDIINLYQKYHPMN 3VSL Chain:B ((6-633)) -----------------------------------------YKQIIKNDENITVNESVPRGRILDRNGKVLVDNASKMAITYTRGRKTTQSEMLDTAEKLSKLIKMDTKKITERDKKDFWI---QLHPKKAKAMMTKEQAMLADGS-IKQDQYDKQLLSKIRKSQLDELSSKDLQVLAIFREMNAGTVLDPQMIKNEDVSEKEYAAVSQQLSKLPGVNTSMDWDRKYPYGDTLRGIFGDVSTPAEGIPKELTEHYLSKGYSRNDRVGKSYLEYQYEDVLRGKKKEMKYTTDKSGKVTSSEVLNPGARGQDLKLTIDIDLQKEVEALLDKQI-KKLRSQGAKDMDNAMMVVQNPKNGDILALAG-KQINKSGKMTDYDIGTFTSQFAVGSSVKGGTLLAGYQNKAIKVGETMVDEPLHFQGGLTKRSYFNKN-GHVSINDKQALMHSSNVYMFKTALKLAGDPYYSGMAL-PSDISSPAQKLRRGLNQVGLGVKTGIDLPNETRGQIEPLTNNPGNYLDLSIGQYDTYTPLQLSQYVSTIANDGYRIQPHIGLTIHESTNKDEVGPLKKKINGTVLNKVNNTEKEIKQIQEGFKMAFNDKD---TGYVSFKDTVVPTAGKTGTAEVF-QN-EPRVNSTYIGYAPIDDPKLAFSIVYTNQPVPPPWLTGG---DLGRDVINYYFK-----

General information: TITO was launched using: RESULT: Template: 3VSL.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 : 3334 169966 50.98 275.03 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : 50.98 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3VSL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VSL-query.scw PDB file : Tito_Scwrl_3VSL.pdb: