Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHDPVLESHHLVCEKPQTRRGIERRLALLLSATELFLEKGYDAVSLDDIVNHAGGSKTSIYKYFGNKDGLFTAICDYRREMFFKDICIAFQP-EQTSLKDYLIQTLIRFYKHIIQPEHIAFLRLVIEQTQ-CNATLSQYLYEKCALDVQNTIAQALLISHQSGEITCTFPDHSSLMYFGILRDIE-WRTIMGMPLPPNETEVIDYINYCVDIFLKGHHKV 2QCO Chain:A ((6-206)) ---------------TPSQKVLARQEKIKAVALELFLTKGYQETSLSDIIKLSGGSYSNIYDGFKSKEGLFFEILDDICKKHFHLIYSKTQEIKNGTLKEILTSFGLAFIEIFNQPEAVAFGKIIYSQVYDKDRHLANWIENNQQNFSYNILMGFFKQQ-NNSYMK-KNAEKLAVLFCTMLKEPYHHLNVLINAPLKNKKEQKEHVEFVVNVFLNGIN--

General information: TITO was launched using: RESULT: Template: 2QCO.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 : 680 -42301 -62.21 -213.64 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -62.21 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_2QCO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QCO-query.scw PDB file : Tito_Scwrl_2QCO.pdb: