Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVK-NNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE 3VPH Chain:C ((2-303)) -----------KVGIVGSGMVGSATAYALALLGVAREVVLVDLDRKLAQAHAEDILHATPFAHPVWVRAGSYGDLEGARAVVLAAGVAQRPGETRLQLLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYRLSALPPGRVVGSGTILDTARFRALLAEHLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEARGRALSPEDRARIDEGVRRAAYRIIEGKGATYYGIGAGLARLVRAILTDEKGVYTVSAFTPEVEGVLEVSLSLPRILGAGGVEGTVYPSLSPEEREALRRSAEILKE------------

General information: TITO was launched using: RESULT: Template: 3VPH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1739 -172385 -99.13 -572.71 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -99.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_3VPH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPH-query.scw PDB file : Tito_Scwrl_3VPH.pdb: