Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIKIEGIHDDRLHRPLQNIANLFYEECELAYGGEEPADFVISLALSQTDEHVTVSGEVKGTGIKEQHTKFFSPDMTEKEAFKQVKNTISYVYLNLLQAHTGITQKWGILTGIRPTKLLHKKLQSGMSKEQAHAELKKDYLIHDEKIMLMQEIVDRQLAAVPDLYRVKDEVSIYIGIPFCPTKCAYCTFPAYAIQGQAGRVGSFLWGLHYEMQKIGEWLKEHDVKVTTIYFGGGTPTSITAEEMDLLYEEMVRSFPDVKNIREITVEAGRPDTITEEKLAVLNKYDIDRISINPQSYENETLKAI-GRHHT------VEETIEKYHLSRQHGMNNINMDLIIGLPGEGVKEFRHSLSETEKLMPESLTVHTLSFKRASEMTRNKHKYKVAGREEVSQMMEDAVAWTKEHGYVPYYLYRQKNILGNLENVGYSLPGQESIYNIMIMEEVQTIIGIGCGAASKFIDRDTGKITHF--ANPKDPKSYNERFEHYTDEKIKYLEQIFEKTTKQH 4R33 Chain:A ((35-418)) GDFVLPELEDVRAEAATVDTRAVLALA-----EGEEPAESRAAVALALWEDRSIGTAELQAAAEARCGARR-----------PRLHTFVPLYTTNYCDSECK-------MCSMRKG---NHRLDRKFSG-RKEITEQLEILYHHEGV--------RGVGFLTGEYE-----------------------DKHTRLASAFRIG---WAIRTALDL----------GFERVYFNIG---SMEQDEIDVLGEWI-----------------GREDPVT---MCVF-----------QESYDRETYRRFMGKTSVGVPKADFDRRVVSFDRWLDAGYRYVNPGVLVGLHDDLSAELVSLVAHGDHLRSRGATA-DLSVPRMRPAMKSRDTTRV-GDDDYLRLMSVVAFTCPEQRLVLTTREPQEFQDVALGLAGVISPG---SPDVAPYRA-------GCEA------RNDEKSSQFLVADLRRPRHILGRIEA-SGTPVDHFVNPAGEASR--

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 A - contact count / total energy / energy per contact / energy per residue : 2088 -109455 -52.42 -291.88 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -52.42 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.239

(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: