Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQIL-SSVITFVGTIAV------MLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFAL--------KGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLD---EKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK 4S0F Chain:B ((161-722)) -------------------------------------FAGFLKPLKKTVLCIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFM-DASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFN---KPIQNANRQIMEDNAK----LTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFK----EGMLYINLSSLTGI----VAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVIS--LKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCLGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDQATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNCDKIYLLKDGEIVESGSHTELIALKGCYFKMWK-----

General information: TITO was launched using: RESULT: Template: 4S0F.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 : 2240 -239234 -106.80 -439.77 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -106.80 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_4S0F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S0F-query.scw PDB file : Tito_Scwrl_4S0F.pdb: