Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKPELTATSVEKFLIEKF--DSVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCA---DGFYKDRYVYRHFASA---ALPIPEVLDIGEFSESLTYCISRRAQGVTLQD-----LPETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVA-QALDELMLWAEDCPEVRHLVHADFGSNNVLTDN-GRITAVIDWSEAMFGDSQYEVANIFFWRP---WLACMEQQTRYFERRHPELAG-SPRLRAYMLRIGLDQLYQSLVDGNFDDAAWAQGRCDAIVRSGAGTVGRTQIARRSAAVWTDGCVEVLADSGNRRPSTRPRAKE 5IQI Chain:C ((9-298)) ----ATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVN---NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISD-ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTI---------DNKQNVLEEYIL-LRETIYNDLTD-IEKDYIESFMERLNATT-VFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNI--DIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEI------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1191 4160 3.49 15.35 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : 3.49 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: