Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKKNRKRLNQSAENGSSLPSAASSCAEARAPSAGSDFAATSGTLTVTNLLEKVDDKIPKTFQNSLIHLGLNTMKSANICIGRPVLLTSLNGKQEVYTAWPMA-GFPGGKVGLSEMAQKNVGVRPGDAIQVQPLVGAVLQAEEMDVALSDKDMEINEEELTGCILRKLDGKIVLPGNFLYCTFYGRPYKLQVLRVKGADGMILGGPQSDSDTDAQRMAFEQSSMETSSLELSLQLSQLDLEDTQIPTSRSTPYKPIDDRITNKASDVLLDVTQSPGDGSGLMLEEVTGLKCNFESAREGNEQLTEEERLLKFSIGAKCNTDTFYFISSTTRVNFTEID-----------KNSKEQDNQFKVTYDMIGGLSSQLKAIREIIELPLKQPELFKSYGIPAPRGVLLYGPPGTGKTMIARAVANEVGAYVSVINGPEIISKFYGETEAKLRQIFAEATLRHPSIIFIDELDALCPKREGAQNEVEKRVVASLLTLMDGIGSEVSEGQVLVLGATNRPHALDAALRRPGRFDKEIEIGVPNAQDRLDILQKLLRRVPHLLTEAELLQLANSAHGYVGADLKVLCNEAGLCALRRILKKQPNLPDVKVAGLVKITLKDFLQAMNDIRPSAMREIAIDVPNVSWSDIGGLESIKLKLEQAVEWPLKHPESFIRMGIQPPKGVLLYGPPGCSKTMIAKALANESGLNFLAIKGPELMNKYVGESERAVRETFRKARAVAPSIIFFDELDALAVERGSSLGAGNVADRVLAQLLTEMDGIEQLKDVTILAATNRPDRIDKALMRPGRIDRIIYVPLPDAATRREIFKLQFHSMPVSNEVDLDELILQTDAYSGAEIVAVCREAALLALEEDIQANLIMKRHFTQALSTVTPRIPESLRRFYEDYQEKSGLHTL 5E7P Chain:A ((17-744)) --------------------------------------TPLSHLRLTARLN------TSALDSRRGVVRLHPEVLAALGIREWDAVALTGTR--TTAAVAGVAGPGVPAGTALLDDVTLSNAGVRENAAVLVSPVT--VYGARSVTVSGSRLATQ---SISPATLRMALLGKVMTVGDTVSLLPRD----------------SAAT---------------SALASSVGITWTSELLTVTAVDP-------------------------------P----------------------------------------------GTVSVQPNSVVSWGTGTPEDPAPPPTGRHTVSPQRSEQPVSFDDVKVTHPQAVKLDEWLRLSLDEPELLKTLGATPHLGVLVSGPAGVGKATMVRAVCASR--RVVELDGPEVGALQVDERLRSVTSAVA-AVTESGGVLFIADVDALLPAGNEMR--PPEPVATLILAELRKAVA---TPGVAFIATSAVPENVDARLRAPEVCDRELGLSLPDATARRSLLEMLLRGVPS--EDLDLGDIADHTPGFVVADLAAVVREGALRAAARASSSD---------DDPVLRHADLEGALTVIRPLSRSA-EVSVGSVTLDDVGDMVETKRALTEAVLWPLQHPDTFSRLGIDPPRGVLLYGPPGCGKTFVVRALASSGRLSVHAVKGSELMDKWVGSSEKAVRELFARARDSAPSLVFLDEIDALAPRRGQNF-DSGVTDKVVASLLTELDGIEPLRDVVVLGATNRPDLIDPALLRPGRLERLVFVEPPDAAARRDILRTAGKSIPLADDVDLDSLADDLDGYSAADCVALLRESAMTAMRRSIDAADVTAADVAKARETVRPSLDPAQVESLREFAEK------

General information: TITO was launched using: RESULT: Template: 5E7P.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 : 4220 61501 14.57 86.99 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 14.57 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_5E7P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5e7p-query.scw PDB file : Tito_Scwrl_5E7P.pdb: