Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLVLGLHEIEKTQLSLVGGKGLHLGELSKIQGIQVPEGFCVTTVGYQKAIEQN-----ETLQVLLDQLTMLKVEDRDQIGN------ISRK---------IRQIIMEVDIPSDVVKAVAQ---------------------------------YLSQFGEEHAYAVRSSATAEDLPHASFAGQQDTYLNITG-------VDAILQHISKCWASLFTDRAVIYRMQNGFDHSQVYLSVIVQRMVF-----PQASGILFTADPITSNRKVLSIDAGFGLGEALVSGLVSADCFKVQDGQIIDKRIATKKMAIYGRKEGGTETQQIDSDQQKAQTLTDEQILQLARIGRQIEAHFGQPQDIEWCLARDTFYIVQSR--PITTLFPIPEASDQENHVYISVGHQQMMTDPIKPLGLSFFLLTTVAPMRKAGGRLFVDVTHHLASPDSREVFLKGMGQHDQLLKDALMTIIKR---RDFIKSIPNDKTAPNPSRGNADMPAQVEND---PTIVSDLIESSQTSIEELKQNIQTKSGSDLFRFILEDIQELKKILFNPKSSVLIRTAMNASLWINEKMNEWLGEKNAADTLSQSVPHNITSEMGLALLDVADVIRPYPEVIDYLQHVKDDNFLDELAKFDGGSKTRDAIYDYLSKYGMRCTGEIDITRTRWSEKPTTLVPMILNNIKNFEPNVGHRKFEQGRQEALKKEQELLDRLKQLPDGEQKAKETKRAIDIIRNFSGFREYPKYGMVNRYFVYKQALLKEAEQLIEAGVIHEKEDIYYLTFEELHEVVRTHKLDYQIISTRKDEYTLYEKLSPPRVITSDGEIVTGEYKRENLPAGAIVGLPVSSGVIEGRARVILNMEDADLEDGDILVTSFTDPSWTPLFVSIKGLVTEVGGLMTHGAVIAREYGLPAVVGVENAA----KLIKDGQRIR---VHGTEGYIEIF------------ 1JDE Chain:A ((1-873)) -AKWVYKFEEGNASMRNLLGGAGCNLAEMTIL-GMPIPQGFTVTTEACTEYYNSGKQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIPGDW-GTAVNVQTMVFGNKGETSGTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLENDM------------------------------------PDCYKQFMDLAMKLEKHFRDMQDMEFTIEEGKLYFLQTRNGKRTAPAALQIACDLVDEGMIT---EEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEKGERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGD---YISLDGSTGKIETQEASVSGSFERIMVWADKFRT-----LKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMIL--------------SDSVEAREEALNELIPFQKGDFKAMYKALEGRPMTVR-YLDPPLHEFVPH-TEEEQAELAKNMGLTLAEVKAKVDELH--EFNPMMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVK-DVVVEVAEQVKKE----KGSDMQYHIGTMIEIPRAALTADAIA------EEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLD-----------QTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGDPSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALNNK

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 : 4547 136482 30.02 175.88 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 30.02 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.169

(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: