Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKITFIGAGSTIFAKNVLGDCLLTEALNGFEFALYDIDPKRLQESQLMLENLRDRYNPSVAINSYDDRKLALQNAGYVINAIQVGGYKPSTVIDFEIPKRYGLRQTIADTVGIGGIFRSLRTIPVLFDIAKDMEEMCPDAWFLNYTNPMATLTGAMLRY---TNIKTIGL-CHS-VQVCTKDLFKALGMEHDGIEERIAGINH----MAWLLEVKKDGTDLYPEIKRRAKEKQKTKHHDMVRFELMDKFG-YYVTESSEHNAEYHPYFIKRNYPELISELQIPLDEYPRRCVKQIENWEKMRDDIVNNKNLTHERSKEYGSRIIEAMETNEPFTFGGNVLNTGLITNLPSKAVVEVTCVADRKKITPCFAGELPEQLAALNRTNINTQLMTIEAAVTRKKEAVYQAAMLDPHTSAELSMKDIISMCDDLFAAHGDWLPEYK 4AJ2 Chain:A ((19-319)) QNKITVVGVGAVGM--ACAISILMK-DL-ADELALVDVIEDKLKGEMMDLQHGSLFLKT-PKIV-SSKDYSVTANSKLVIITAGARQQEGES-RLN-------L---------------VQRNVNIFKFIIPNVVKYSPQCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLG-EHGDSSVPVWSGVNVAGVSLKSLNPQ---------------------LGTDADK-------EQWK------D--VHKQ-VVDSA---------YEVIK----L--KGYT--SWAIGLSVADLAESIMKNLRRVHPISTMIKGL-YGIKEDVFLSVPCILGQNGISDVVKVTLTPDEEARLKKSA--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AJ2.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 : 1651 -90570 -54.86 -311.24 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -54.86 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4AJ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AJ2-query.scw PDB file : Tito_Scwrl_4AJ2.pdb: