Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTIINIGGSYYLQGILDEYIPNQMKSTLGIISVGLVITYILQQVMSFSRDYLLTVLSQRLSIDVILSYIRHIFELPMSFFATRRTGEIISRF-TDANSIIDALASTILSLFLDVSILILVGGV-LLAQNPNL-FLLSLLSIPIYMFIIFSFMKPFEKMNHDVMQSNSMVSSAIIEDINGIETIKSLTSEENRYQNIDSEFVD----YLEKSFKLSKYSILQTSLKQGTKLVLNILILWFGAQLVMSSKISIGQLITFNTLFSYFTTPMENIINLQTKLQSAKVANNRLNEVYLVESEFQVQENPVHSHF--LMGDIEFDDLSYKYGFGRDTLTDINLTIKQGDKVSLVGVSGSGKTTLAKMIVNFFKPYKGHISINHQDIKNIDKKVLRRHINYLPQQAYIFNGSILENLTLGGNHMISQEDILKAYELAEIRQDIERMPMGYQTQLSD-GAGLSGGQKQRIALARALLTKSPVLILDEATSGLDVLTEKKVIDNLISLTDK-TILFVAHRLSIAERTNRVIVLDQGKIIEVGSHQELMQAQGFYHHLFNK 5MKK Chain:B ((42-568)) ----------YFLRLAVDAV---QAGRGFGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGIL-MGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRF-LLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALE----RRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFEL-LDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRD-GRWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDE-VDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEM---

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2087 -44264 -21.21 -85.78 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -21.21 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: