Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQR---------------VASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDY-AK--LPATYSNELRSVCYQLLTLDPDQ---RPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC 4LQS Chain:A ((101-452)) ---------------------------------------------------------------------------LEDFHTVKVIGKGAFGEVRLVQKKDTGKIYAMKTLLKSEMY----K----------------------------------------K---------------SDSPWVVSLYYSFQ-DAQYLYLIMEFLPGGDLMTMLIRW----QLFTEDVTRFYMAECILAIETIHKLGFIHRAIKPDNILIDIRGHIKLSDFGLSTGFHKTHDSNYNRQQIQTWRKSRRLMAYSTVGTPDYIAPEIFLYQGYGQECDWWSLGAIMYECLIGWPPFCSETPQETYRKIMNFEQTLQFPDDIHISYEAEDLIRRLLTHADQRLGRHGGADEIKSH-PFFRGV-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LQS.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 : 1075 -59875 -55.70 -242.41 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -55.70 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_4LQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LQS-query.scw PDB file : Tito_Scwrl_4LQS.pdb: