Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEARVIGLEKLGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQSG-----LNARIQAELAELNV---------------------------------------DDVNALAET------GAKIRQWIVETPLTPGLEQEIREAFAALSNGNPDIAVAVRSSATAEDLPDASFAGQQETFLNIRG-------IDNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMVRSETG---AAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEEGSAGKSVVVVDVEKQERQQFALNDHELQELAKQALIIEKHYGAPMDIEWAKDGDDGQIYIVQARPETVKSRQNVGTMERYLLKQK---GTVLCEGRSIGQRIGSGKVRI-VNSIKEMDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNAT------------EVLTDGQEVTVSCAEGDTGFIYEGALDFEVQRNSIESMPKLSFKIMMNVGNPDRAFDFAQIPNEGIGLARLEFIINRMIGVHPKALLNIESLPRETRAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPVIVRMSDFKSNEYA-------NLIGGKLYEPEEENPMLGFRGASRYIS--DNFRDCFELECRALKKVRDEMGLT-NIQIMIPFVRTVSEAKRVIELLAQNGLK-----RGENGLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRD-------SGIVSHLFDER------DAAVKALLSMAIHACRKAGK--YVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI 1JDE Chain:A ((1-873)) -AKWVYKFEEGNASMRNLLGGAGCNLAEMTIL----GMPIPQGFTVTTEACTEYYNSGKQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIPGDW-GTAVNVQTMVFGNKGETSGTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLENDMPDCYKQFMDLAMKLEKHF----------RDMQDMEFTIEEGKLYFLQTRNGKRT------------APAALQIACDLVDEGMITEEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEKGERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISLDGSTGKI-ETQEASVSGSFERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAREEALNELIPFQKGDFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGD-PSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALNNK

General information: TITO was launched using: RESULT: Template: 1JDE.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 : 4488 136627 30.44 179.30 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 30.44 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_1JDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JDE-query.scw PDB file : Tito_Scwrl_1JDE.pdb: