Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKINFF---DTTLRDGEQSPGVNLNTQEKLAIAKQLERLGADIIEAGFPASSRGDFLAVQEIARTIKNCSVTGLARCVKGDIDAAWEALKDGAQPRIHVFIATSDIHLKHKLKMTREQVIERAVGMVKYAKERFPIVQWSAEDACRTELPFLAEIVEKVIDAGASVINLPDTVGYLAPAEYGNIFKYMKENVPNIHKAKLSAHCHDDLGMAVANSLAAIENGADQIECAVNGIGERAGNAALEEIAVALHTRKDFYQVETGITLNEIKRTSDLVSKLTGMAVPRNKAVVGDNAFAHESGIHQDGFLKEKSTYEIISPELVGVTADALVLGKHSGRHAFKDRLTALGFQFDSEEINKFFT--MFKELTEKKKEITDEDLVSLILEEKVTDRKIGYEFLSLQVHYGTSQVPTATLSLKNQENAQLIQEAATGAGSVEAIYNTLERCIDKDVELLDYRIQSNRKGEDAFAQVYVRVLVNGKESAGRGIAQDVLEASAKAYLNAVNRQLVFQSNMSGLKNHTAVGS 3MI3 Chain:A ((34-391)) LSRVNNFSIIESTLREGEQFANAFFDTEKKIQIAKALDNFGVDYIELTSPVASEQSRQDCEAICKLGLKCKILTHIRCHMDDARVAVETGVDG----VDVVIGTS-----------MTYIIDSATEVINFVKSKGIEVRFSSEDSFRSDLVDLLSLYKAVDKIGVNRVGIADTVGCATPRQVYDLIRTLR----GVVSCDIECHFHNDTGMAIANAYCALEAGATHIDTSILGIGERNGITPLGALLARMYVTDREY-ITHKYKLNQLRELENLVADAVEVQIPFNNYITGMCAFTHKAGIHAKAILANPSTYEILKPEDFGMSRYVHVGSRLTGWNAIKSR---------AEQLNLHLTDAQAKELTVRIKKLAD---------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MI3.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 : 1809 3283 1.81 9.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 1.81 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_3MI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MI3-query.scw PDB file : Tito_Scwrl_3MI3.pdb: