Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGL--------FRQQ-TEKGEAIVQEAMEQTGVAD----FAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE 1L2T Chain:B ((21-228)) ---------------LKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKI-----RRDKIGFVFQ-----QFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTGALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVAR-FGERIIYLKDGEVEREEK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1L2T.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 : 954 -3043 -3.19 -15.61 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -3.19 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_1L2T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1L2T-query.scw PDB file : Tito_Scwrl_1L2T.pdb: