Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDRIREKLQILADAAKYDVSCSSSGSDRKNKNKGLGDASHSGICHSYTEDGRCVSLLKILFSNVCIFDCAYCVSRRSND-VQRAAFTVQEVVDLTINFYRRNYIEGLFLSSGIF-KSADHTMERMLQVVKKLRLE--ENFNGYIHLKTIPGASPELIHEAGL-----YADRMSINLEMPTEIGLKTFAP-------EKSHQEVQKDLGLVRDRLIQLKDERQIIKHVPKYVPAG-QTTQMVVGAHQESDQDVLFMA---DKHYKEFKLKRVYFSGYIPINNENNYLPAVGSAPPLLRENRLYQSDWLMRFYGFEVNEIVNEKHPNLDLDVDPKLSWALRHPEQFPVDLNRADYQMILRVPGIGVKSAKKIVQARRFGKIHIDLLKKLGVAYQRAKFFIRCEDSPKFQKELSSSFIRQQILTQGSSKYVQQLSPQLSLGF 4R33 Chain:B ((107-310)) ---------------------------------------------------------VPLYTTNYCDSECKMCSMRKGNHRLDRKFSGRKEITEQLEILYHHEGVRGVGFLTGEYEDKHTRLASA-FRIGWAIRTALDLGFE-RVYFNIG-SMEQDEIDVLGEWIGREDPVTMCVFQESYDRETYRRFMGKTSVGVPKADFDRRVVSFDRWLDA------------------GYRYVNPGVLVGLHDDLSAELVSLVAHGDHLRS-RGA---TADLSVPRMR-PAMK---------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R33.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 : 823 17 0.02 0.09 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 0.02 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4R33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R33-query.scw PDB file : Tito_Scwrl_4R33.pdb: