Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVK-NNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE 2XXJ Chain:D ((1-303)) ----------MKVGIVGSGMVGSATAYALALLGVAREVVLVDLDRKLAQAHAEDILHATPFAHPVWVWAGSYGDLEGARAVVLAAGVAQRPGETRLQLLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYALSGLPPGRVVGSGTILDTARFRALLAEYLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEARGRALSPEDRARIDEGVRRAAYRIIEGKGATYYGIGAGLARLVRAILTDEKGVYTVSAFTPEVAGVLEVSLSLPRILGAGGVAGTVYPSLSPEERAALRRSAEILKE------------

General information: TITO was launched using: RESULT: Template: 2XXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1808 -173426 -95.92 -574.26 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : -95.92 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_2XXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXJ-query.scw PDB file : Tito_Scwrl_2XXJ.pdb: