Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDATAGKIPHVLVIMDGVGHREAIEDNAFLAAKNPNLTAMKAKHPNSLISGSGEDVGLPDGQMGNSEVGHMNLGAGRVLYQDFTRITKDIRTGAFFEHEVLVDAVEKAKAAGGAVHIMGLLSEGGVHSHEDHIVAMCELALKRGA-KVYLHAFLDGRDTPPRSAQPSLEKLDALFAQYEGKGRIATMIGRYFAMDRDNRWDRVEQAYRLLTEGEA-VRTATTAVEGLELAYAANENDEFVKATRI-GEIAKVQDGDSVVFMNFRADRAREITHAFVEKDFAGFERTVV-PNLSKFVMLTRYQASIDAPVAYMPEELKNSLGEYLSSLGKTQLRIAETEKYAHVTFFFSGGREDEYPGEKRILIPSPNVATYDLKPEMSAYEVTDELVKAINSGEYDLLVVNYANGDMVGHTGVFDAAVKAVEAVDTCLGRVYEAVMAKKGHMLITADHGNVEQMQDYESGQVHTQHTTELVP-------FIYVGPTQATIAEGGVLADVAPTILNLMQIPVPAEMQGRNLITLSA 5KGN Chain:A ((14-518)) -----------CLIVIDGWGVSEDPYGNAILNAQTPVMDKLCSGN-WAQIEAHGLHVGLPEGLMGNSEVGHLNIGAGRVIYQDIVRINLAVKNNKFVTNESLVDACDRAKNGNGRLHLAGLVSDGGVHSHIDHMFALVKAIKELGVPELYLHFYGDGRDTSPNSGVGFLEQTLEFLEKTTGYGKLATVVGRYYAMDRDNRWERINVAYEAMIGGVGETSDEAGVVEVVRKRYAADETDEFLKPIILQGEKGRVQNDDTIIFFDYRADRMREISAAMGMDRYKDCNSKLAHPSNLQVYGMTQYKAEFPFKSLFPPASNKNVLAEWLAEQKVSQFHCAETEKYAHVTFFFNGGLEKQFEGEERCLVPSPKVATYDLQPEMSAAGVADKMIEQLEAGTHPFIMCNFAPPDMVGHTGVYEAAVKACEATDIAIGRIYEATQKHGYSLMVTADHGNAEKMKAPDGGK-HTAHTCYRVPLTLSHPGFKFVDPADRHPA----LCDVAPTVLAIMGLPQPAEMTGVSIV----

General information: TITO was launched using: RESULT: Template: 5KGN.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 : 3047 -67310 -22.09 -136.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -22.09 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_5KGN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KGN-query.scw PDB file : Tito_Scwrl_5KGN.pdb: