Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVRTKDVMEQFNLELISGEEGINRPITMSDLSRPGIEIAGYFTYYPRERVQLLGKTELSFFEQLPEEEKKQRMDSLCTDVTPAIILSRDMPIPQELIDASEKNGVPVLRSPLKTTRLSSRLTNFLESRLAPTTAIHGVLVDIYGVGVLITGKSGVGKSETALELVKRGHRLVADDCVEIRQEDQDTLVGNAPELIEHLLEIRGLGIINVMTLFGAGAVRSNKRITIVMNLELWEQGKQYDRLGLEEETMKIIDTEITKLTIPVRPGRNLAVIIEVAAMNFRLKRMGLNAAEQFTNKLADVIEDGEQEE 1KKL Chain:B ((21-195)) ------------------------------------------------------------------------------------------------------------------------------------ERRSMHGVLVDIYGLGVLITGDSGVGKSETALELVQRGHRLIADDRVDVYQQDEQTIVGAAPPILSHLLEIRGLGIIDVMNLFGAGAVREDTTISLIVHLENWTP---------GEQTQLIFDVPVPKITVPVKVGRNLAIIIEVAAMNFRAKSMGYDATKTFEKNLNHLIEHNE---

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 B - contact count / total energy / energy per contact / energy per residue : 745 -115870 -155.53 -698.01 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -155.53 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.584

(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: