Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEIKNLTFGYDSQGTLLFEQANLNFDTQWKLGLIGRNGRGKTTLLNILQN-KLPYQGQVIHQQEF--AYFPQQTK-DKERLTYYVLNDITDFEIWEIER--ELQLMQTDP---------------EIL-----------------W-REFSTLSGGEKTKVLLALLFVDDTHFPLIDEPTNHLDISGRKQVAAYLKKKKQGFIVVSHDRGFIDEVVDHVLAIEKSQLELYQGNFSIYEEQKKLRDEFEMAQNEKLKKEVSRLKKTAAEKAEWSRSREGDKTKKQVGFIDTESRRVNKGAVGADAARTMKRSKAIVNRMETQISEKEKLLKDIEY-----IDSLTMNSQASHHKRLLSVEDLQLGY-ENLLFEPIHFTIEPHQRVAISGPNGAGKSSIIHYLLGAFNGKVIGEKYQPKHLSISYAS----------QNYEDNRGTLAEFAE---------KNQVDYQAFLNNLRKLGMERDVFHNKIEQMSMGQRKKVELAKSLSQPAELYTWDEPLNYLDVFNQEQLEQLILNVKPAMLLVEHDQTFLDKVSTEIISLERI 4FIN Chain:A ((21-512)) -------------------ILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQLNVQLERAADALRLPDWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQ------EAAR-RKSIEKELEWVR--QGTK----KG-------------------------KARLARFEE--------LNSTEYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISG---------QEQPDSGTITLGETVKLASVDQFRDSMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQG---KRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHIL-----

General information: TITO was launched using: RESULT: Template: 4FIN.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 : 1528 85551 55.99 204.67 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 55.99 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_4FIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIN-query.scw PDB file : Tito_Scwrl_4FIN.pdb: