Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEARVIGLEKLGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQSG-LNARIQAE----LAELNVDDVNALAE----TGAKIR-----------QWIVE------------------------------------TPLTPGLEQEIREAFAALSNGNPDIAVAVRSSATAEDLPDAS--FAGQQETFLN-----IRGIDNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMVRS-----ETGAAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEEGSAGKSVVVVDVEKQERQQFALNDHELQELAKQALIIEKHYGAPMDIEWAKDGDDGQIYIVQARPETVKSRQNVG---------TME-------R--Y------------LLKQKGTVLCEGRSIGQRIGSGKVRIVNSIKE-MDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNAT------------EVLTDGQEVTVSCAEGDTGFIYEGALDFEVQRNSI-------ESMPKLSFKIMMNVGNPDRAFDFAQIPNEGIGLARLEFIINRMIGVHP-KALLNIESLPRETRAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPVIVRMSDFKSNEYANLIGGK------------------LYEPEEENPMLGFRGASRYISDNFRDCFELECRALKKVRDE----MG-LTNIQIMIPFVRTVSEAKRVIELLAQNGLKR-----GENGLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRDSGI--VSHL-------FDER----DAAVKALLSMAIHACRK--AGKYVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI 1KBL Chain:A ((1-871)) -AKWVYKFEEGNASMRNLLGGKGCNLAEMT----ILGMPIPQGFTVTTEACTEYYNSGKQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKE------EKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIPG-DWGTAVNVQTMVFGNKGETS--GTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLEND-----------------------------------------------MPDCYKQFMDLAMKLEKHFRDMQDMEFTIEE--GKLYFLQTRNGKRTAPAALQIACDLVDEGMITEEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEKGERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISL---DGSTGKIYKGDIETQEASVSGSFERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAR--EE----------ALNELIPFQKGDFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVTY--PEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGD-PSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALN--

General information: TITO was launched using: RESULT: Template: 1KBL.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 : 3994 73235 18.34 103.29 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 18.34 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_1KBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KBL-query.scw PDB file : Tito_Scwrl_1KBL.pdb: