Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAERGRLLLTVVGELLAAEVCAAGTRIRGPDERARRERQRALRIRTALERLGPLYVKAGQVLSTREDLVPPAVARELESLHDRAAPCPFDRMSAVLEAELGPDWRRRFRHFDTERPLGCASIAQAYAAVLDDGRSVVVKVQRPGIAAQMTTDMRLLRGMTRTLARRTPVLSETIDFEAMLAVIFEAVRNELDLTLEAANMDEARAAVTAVPGIDVPGVVHATERVLIQRRAPGTSVRDADPAAFDDAERERVGTGLLTVMYQGYFIDHRFHADPHPGNVFVCPGGPTTLIDWGMIGRLDRHLSSTLLMTLLGLANNDAHAVARAWSEMGRPTPWADIGAFEQDMSVVVPRLASIPLDRLRFGASLATLLRLSTRRGIRTNPMIGLLGKSFANMEGTVRHLAPHLSATDVLVRQTGRVLGEYAAQSLSQQQLGFTALQLLSGLETLLPHARAVGRSLSGGDLTLQHTAVTRPFSLVDHRSSARIRRAEHHLLGAAALVWLLRRRGRG 5CKW Chain:B ((6-410)) ------------TMKLLRFHELKS---LPGMDEKALELLIKVLGNKGIRKLIKS---ADGK--PISREIMIHEFGIDCQILFITTEA---SLKPIIVPTENKISYCEQFKVYA-----------------LDDGKTYFLKSVKID-----AESLTEFTNEKDTLSKLGRLVGTFFNEQTQVHYILTTFIKGIDLSRYKNALPLNVNLKHFWEVLGIMISVCHQVKQFHELGL--------------------------------------IHRDLKPGNIMLDADMQCHLVDFGSSSSDKEPKPASW-----GTASYLAPELNAQ-EDFIAFSQVSDLFALAYSLDELFNPFRQVKFAKVDIGIKNKHLVLLHAEI---EACITGLMSNETSVRTLYFSRILQLQRVPESF--KSRPEAFTYLIMLLTQWKSCYEAPEMNKELDEIIAEIKVAYEN--------HEQDAVKIITLLEQLSKADGLLNSHKALLSVLIKSLAN-----

General information: TITO was launched using: RESULT: Template: 5CKW.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 : 1842 -190150 -103.23 -475.38 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -103.23 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.194

(partial model without unconserved sides chains): PDB file : Tito_5CKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ckw-query.scw PDB file : Tito_Scwrl_5CKW.pdb: