Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFITKRRCKQMDLNKRQLQILVVLRNKNHWITSEELAEALGTNKKTIQTEIKNMLAIYEKKIIIQSNKRSGYFLESIESETKQQIIQEVTKHKIYSSMDFRASTIVTYLLFQKGYVSMQKIADIFFLSKTAVSLQIKTILRWIERNPKLELEVSSTKGLKIIAEENSKRIFLSLVGTETVIQHARFPQQISTIFS-NIMPTVQKTLKEVLISYNYIVSGEDFIRFSRYLVLTILRREEL--LEK-TN--R---YTLFIPMVETLTKKLSSELPYSFSNQEKQAIENRLLELNYLM-IND----EKNKEIEKNLRAFEQTIIRFLDLPVSLLFHETEFLLTHIKQMKTRMDAGHNT-MNHFVQKIISRYPLEIYLIRRFFPIH---FQLRPNLAESAYFVLYLAEALNPFR-KQGEILIVSNQPISILNTLKKQIQQSMNMWIKECRIEPVYLFKNQSNKITEYDAILTTEQELIFEWDDLIYLPSVLDEFESWEIYQILREKLTIVEEKKKTKLLDHYYKEENQIKIHKKIDSIQQLISPSSDLVMLPLNAETLLCCLIKSQVETKITEYQLEIPLIHQQRKIKRVFFVSFDYKRNDILVFFQAVSDLLG 4R6I Chain:B ((14-476)) -------------HIRLINLLHFINEQNRWFTIKELSDYLQVADKTVRKYLKLLEDEIPPSWNLLVQKGKGIYLKKPLNESLSFVE-------SKILRKSLNLQICEELVF-KK-NSMQSLAQKLHLQVGALYPIINQINYDIQ-SSHLNIKK---KPLEISGREQDVRVFMLRLYCNIP-ND-------YWPFPYINKQNITDLINKMEKILNVQMYTYSKHKLCVLFAITISRLLSGNTIDNVSGLILVNKNDDHYKTVASITSELQNSFGVTLHETEISFLALALLLSLGNSIT-NKTLTSYKKTIMPLAKEITKGIEHKLQLGINYDESFLTYVVLIIKKALDKNFIQYYNYNIKFIRHIKQRHPNTFNTIQECISNLNYTVYSHFDCYEISLLTMHFETQRMLFKNNPKKIYVYTSQGCIHREYISALLEKRYNGLIKIVRN-TI---------DMEIDIIISN---------------EFPTERDFHEIKK-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R6I.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 : 1742 -91498 -52.52 -218.89 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -52.52 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_4R6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6I-query.scw PDB file : Tito_Scwrl_4R6I.pdb: