Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVRTKDVMEQFNLELISGEEGINRPITMSDLSRPGIEIAGYFTYYPRERVQLLGKTELSFFEQLPEEEKKQRMDSLCTDVTPAIILSRDMPIPQELIDASEKNGVPVLRSPLKTTRLSSRLTNFLESRLAPTTAIHGVLVDIYGVGVLITGKSGVGKSETALELVKRGHRLVADDCVEIRQEDQDTLVGNAPELIEHLLEIRGLGIINVMTLFGAGAVRSNKRITIVMNLELWEQGKQYDRLGLEEETMKIIDTEITKLTIPVRPGRNLAVIIEVAAMNFRLKRMGLNAAEQFTNKLADVIEDGEQEE 1KKL Chain:A ((21-196)) ------------------------------------------------------------------------------------------------------------------------------------ERRSMHGVLVDIYGLGVLITGDSGVGKSETALELVQRGHRLIADDRVDVYQQDEQTIVGAAPPILSHLLEIRGLGIIDVMNLFGAGAVREDTTISLIVHLENWTPD---------EQTQLIFDVPVPKITVPVKVGRNLAIIIEVAAMNFRAKSMGYDATKTFEKNLNHLIEHNEE--

General information: TITO was launched using: RESULT: Template: 1KKL.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 : 734 -110618 -150.71 -662.38 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -150.71 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_1KKL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KKL-query.scw PDB file : Tito_Scwrl_1KKL.pdb: