Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCC-IIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETE-----PDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCD--------FVTPEIEVGAYTDIIIDGEVYGRALRTR-RDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV 4NSP Chain:A ((43-241)) ------------------------------------SGLQRVGGVDVSFV----DSVRACASLVVLSFPELEVVYEESRMVSLTAPYVSGFLAFREVPFLLELVQQLREKEPGLMPQVLLVDGNGVLHHRGFGVACHLGVLTDLPCVGVAKKLLQVDGLENNALHKEKIRLLQTRGDSFPLLGDSGTVLGMALRSHDRSTRPLYISVGHRMSLEAAVRLTCCCCR--FRIPEPVRQADI--------------

General information: TITO was launched using: RESULT: Template: 4NSP.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 : 942 -89342 -94.84 -490.89 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -94.84 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_4NSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NSP-query.scw PDB file : Tito_Scwrl_4NSP.pdb: