Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIPMIYQMENSECGLACCAMILNYFKYEISLNELREIYPSSRSGYSLLSISKVLGDFNISSHAFKASVRDLKPLSFPLICFWESSHFIILEKISKNKFYILDPAKGRQRMSISEFERHYSNIILTFKKLDSFMSRKDNKKSPVLKYFFKYRNKLGILFFVTALLYVIQSLVPIANRYIIDTNFKDDSYSSRMLFTILFIFTVSFSLMYLLRQIYVASLKYIMDKEISYDFMKHLIYLPYSFYEKRTLGDILFRA-NSIVYIREILSNNFIAAILDLLMIVVYAVVLFSFSKYMVIFLISLSLALSIVMYPIIKISKNLIDKNIKEKVNVQNITSEVISKNSDIKLTGEEEFWINKWDNFNTKQLIIGRKLDIHLSIVSSITNVLQIILPVLTLIVGVNIKTFEQLTLGQIVAISTVSPYFISPIISLSDNYIQLMLLKGYFLRIEDVFNTKSELIPERV--SQDIKFDKKIELKDIWYKYGLFDDYVLKGINVTIKKGETVAIVGESGSGKSTLAKILLGLLEPNIGSIEVDGVEKEEIGQTLYRKIFGAVLQNSTLSYGTLRENLTFGHF-VSDEELMTNLNSIGLSNVVKSLPLGLETIIAEEGNNFSGGQQQMILLARCLLSKPSVVVLDEATSSLDNLSQQITTSYLSEI--GTTKILIAHRLDTIKSADKILVMHNGEIVEIGTHRELLELGGIYKQLYSNN 5MKK Chain:B ((17-569)) ----------------------------------------------------------------------------------------------------------------------------------------------------GRYRWRYLWAVLAGLVSIFFFVLTPYFLRLAVDAVQAGRGF--GVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFELLDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRDG--RWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDEVDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEMD---

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2327 -139675 -60.02 -255.35 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -60.02 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: