Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHDPVLESHHLVCEKPQTRRGIERRLALLLSATELFLEKGYDAVSLDDIVNHAGGSKTSIYKYFGNKDGLFTAICDYRREMFFKDICIAFQ-PEQTSLKDYLIQTLIRFYKHIIQPEHIAFLRLVIEQTQCNATLSQYLYEKCALDVQNTIAQALLISHQSGEITCTFPDHSSLMYFGILR-DIEWRTIMGMPLPPNETEVIDYINYCVDIFLKGHHKV 2QCO Chain:A ((6-207)) ---------------TPSQKVLARQEKIKAVALELFLTKGYQETSLSDIIKLSGGSYSNIYDGFKSKEGLFFEILDDICKKHFHLIYSKTQEIKNGTLKEILTSFGLAFIEIFNQPEAVAFGKIIYSQVYDKDRHLANWIENNQQNFSYNILMGFFKQ-QNNSYMKKNAEKLAVLFCTMLKEPYHHLNVLINAPLKNKKEQKEHVEFVVNVFLNGINS-

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 : 683 -51891 -75.98 -259.46 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -75.98 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.434

(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: