Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDATAGKIPHVLVIMDGVGHREAIEDNAFLAAKNPNLTAMKAKHPNSLISGSGEDVGLPDGQMGNSEVGHMNLGAGRVLYQDFTRITKDIRTGAFFEHEVLVDAVEKAKAAGGAVHIMGLLSEGGVHSHEDHIVAMCELALKRGA-KVYLHAFLDGRDTPPRSAQPSLEKLDALFAQYEGKGRIATMIGRYFAMDRDNRWDRVEQAYRLLTEGEAVRTAT-TAVEGLELAYAANENDEFVKATRIGEI-AKVQDGDSVVFMNFRADRAREITHAFVEKDFAGFERTV-VPNLSKFVMLTRYQASIDAPVAYMPEELKNSLGEYLSSLGKTQLRIAETEKYAHVTFFFSGGREDEYPGEKRILIPSPNVATYDLKPEMSAYEVTDELVKAINSGEYDLLVVNYANGDMVGHTGVFDAAVKAVEAVDTCLGRVYEAVMAKKGHMLITADHGNVEQMQDYESGQVHTQHTTELVPFIYVGPTQA---TIAEGGVLADVAPTILNLMQIPVPAEMQGRNLITLSA 5KGN Chain:B ((3-521)) MANNSSVANKVCLIVIDGWGVSEDPYGNAILNAQTPVMDKLCSGN-WAQIEAHGLHVGLPEGLMGNSEVGHLNIGAGRVIYQDIVRINLAVKNNKFVTNESLVDACDRAKNGNGRLHLAGLVSDGGVHSHIDHMFALVKAIKELGVPELYLHFYGDGRDTSPNSGVGFLEQTLEFLEKTTGYGKLATVVGRYYAMDRDNRWERINVAYEAMIGGVGETSDEAGVVEVVRKRYAADETDEFLKPIILQGEKGRVQNDDTIIFFDYRADRMREISAAMGMDRYKDCNSKLAHPSNLQVYGMTQYKAEFPFKSLFPPASNKNVLAEWLAEQKVSQFHCAETEKYAHVTFFFNGGLEKQFEGEERCLVPSPKVATYDLQPEMSAAGVADKMIEQLEAGTHPFIMCNFAPPDMVGHTGVYEAAVKACEATDIAIGRIYEATQKHGYSLMVTADHGNAEKMKAPD-GGKHTAHTCYRVPLTLSHPGFKFVDPADRHPALCDVAPTVLAIMGLPQPAEMTGVSIVQKI-

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 B - contact count / total energy / energy per contact / energy per residue : 3212 -68621 -21.36 -134.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -21.36 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.498

(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: