Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSRKVVIVGTGFVGTSIAYAMINQGISNELVLIDVNQEKAEGEALDLLDGMAWGDENVAVWSGGYEECKDADIVVITAGINQKPGQSRLDLVKTNASIMRQIVKEIMGSGFDGIIVVASNPVDILTYIAWNESGLPTSRVIGTGTTLDTTRFRKEIALKLKVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPVFEIVEKDHR-IAQDELDVIADKVRNAAYEIIDRKKATYYGIGMSTARIVKAILNNEQAVLPVSAYLTGEYDEKDIFTGVPSIVDENGVREVVELSINEEEKAMFSKSTSALREVLNTVL 3VPH Chain:A ((2-303)) ------KVGIVGSGMVGSATAYALALLGVAREVVLVDLDRKLAQAHAEDILHATPFA-HPVWVRAGSYGDLEGARAVVLAAGVAQRPGETRLQLLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYRLSALPPGRVVGSGTILDTARFRALLAEHLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEARGRALSPEDRARIDEGVRRAAYRIIEGKGATYYGIGAGLARLVRAILTDEKGVYTVSAFTPEVEGVLEVSLSLPRILGAGGVEGTVYPSLSPEEREALRRSAEILKE------

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 A - contact count / total energy / energy per contact / energy per residue : 1738 -170850 -98.30 -567.61 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -98.30 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.529

(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: