Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVNGIHHVSALTADAQKNLDFYKKVLGLKLVKKSVNQDEPTMYHLFYGDEVANPGTELTFFEIPRIAPFHAGTNSISSIGLRVPGTEALHYWKERFEEQQVTHSGI-SK----RAGRDILAFQDHEGQRLVLTADEEGKGYGLPVKQ-SG-IPEEFSFRGLGPVELTVPYAEPTLHVLTNILGFTEISREPVEG---QG-TAVILESGEGGAATEIHLIERNDLPRERQGKGSVHHVAFRVRDEEELAGWHRIISREGFSNSGIVE--RYYFKALYFREPNG-ILFELSTDGPGFMVDENLDELGQTIALPPYLEHRRAEIEAKLKPIQ 1KW3 Chain:B ((1-278)) -SIERLGYLGFAVKDVPAWDHFLTKSVGLMAAGSAGDA-------ALYRADQ----RAWRIAVQP------GELDDLAYAGLEVDDAAALERMADKLRQAGVAFTRGDEALMQQRKVMGLLCLQDPFGLPLEIYYGPAEIFH-EPFLPSAPVSGFVTGDQGIGHFVRCVPDTAKAMAFYTEVLGFVLSDIIDIQMGPETSVPAHFLHCN--GRHHTIALAAF-------PIPKRIHHFMLQANTIDDVGYAFDRLDAAGRITSLLGRHTNDQTLSFYADTPSPMIEVEFGWGPRTVDSSWTVARHS------------------------

General information: TITO was launched using: RESULT: Template: 1KW3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1533 -141275 -92.16 -535.13 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -92.16 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_1KW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KW3-query.scw PDB file : Tito_Scwrl_1KW3.pdb: