Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKSRLGRGRHGKTRHVLLALIGILAISICLLGGFIAFKIYQQKSFEQKIESLKKEKDDQLSEGNQKEHFRQGQAEVIAYYPLQGEKVISSVRELINQDVKDKLESKDNLVFYYTEQEESGLKGVVNRNVTKQIYDLVAFKIEETEKTSLGKVHLTEDGQPFTLDQLFSDASKAKEQLIKELTSFIEDKKIEQDQSEQIVKNFSDQDLSAWNFDYKDSQIILYPSPVVENLEEIALPVSAFFDVIQSSYLLEKDAALYQSYFDKKHQKVVALTFDDGPNPATTPQVLETLAKYDIKATFFVLGKNVSGNEDLVKRIKSEGHVVGNHSWSHPILSQLSLDEAKKQITDTEDVLTKVLGSSSKLMRPPYGAITDDIRNSL---DLSFIMWDVDSLDWKSKNEASILTEIQH----QV-ANGSIVLMHDIHSPTVN-ALPRVIEYLKNQGYTFVTIPEMLNTRLKAHELYYSRDE 2Y8U Chain:B ((29-224)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CTTPNTIALTFDDGPSEY-TPQLLDLLSRYSARATFFVLGDAAAQNPGLLQRMRDEGHQVGAHTYDHVSLPSLGYDGIASQMTRLEEVIRPALGVAPAYMRPPYLETNELVLQVMRDLDYRVISASVDTKDYENQDADAIINTSFQLFLDQLDAGGNIVLAHDIHYWTVASLAERMLQEVNARGLIATTVGDCLGDG------------

General information: TITO was launched using: RESULT: Template: 2Y8U.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 : 962 -44702 -46.47 -239.05 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -46.47 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_2Y8U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y8U-query.scw PDB file : Tito_Scwrl_2Y8U.pdb: