Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKNITLTILLTNLFIAFLGIGLVIPVTPTI-MNELHLSGTAVGYMVACFAITQLIVSPIAGRWVDRFGRKIMIVIGLLFFSVSEFLFGIG-----KTVEMLFISRMLGGISAAFIMPGVTAFIADITTIKTRPKALGYMSAAISTGFIIGPGIGGFLAE------VHSRL-------------PFFFAAAFALLAAILSILTLREPERNPENQEIKGQKTGFKRIFAPMYFIAFLIILISSFGLASFESLFALFVDHKFGFTASDIAIMITGGAIVGAITQVVLFDRFTRWFGEIHLIRYSLILSTSLVFLLTTV-H-----SYVA----I-LLVTVTVFVGFDLMRPAVTTYLSKIA-----------------GN-EQGFAGGMNSMFTSIGNVFGPIIGGMLFDID--VNYPFYFATVTLAIGIALTIAWKAPAHLKAST 4U4V Chain:A ((57-449)) --------------------------AVAVNLPKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGA-NFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT-------------LPVLKRGHLWIMSLLYLATFGSFIGFSAGFAMLSK--TQFPDVQILQYAFFGPFIGA-LARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTDQGGSFMAFFAVFLALFLTAGL-GSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIPKAFGSSLALTGSPVGAMKVFLIFYIAC-----------------

General information: TITO was launched using: RESULT: Template: 4U4V.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 : 1387 -188969 -136.24 -576.13 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -136.24 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.299

(partial model without unconserved sides chains): PDB file : Tito_4U4V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U4V-query.scw PDB file : Tito_Scwrl_4U4V.pdb: