Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSQPVRSAAEWTAGDVAGVLAQACPAARVTSIRPGPPSYSNCLWLAETVDGRLLVRIPGRSADPEYVRATVTATHLASAA---GVPTVRYHEFVPQTPLGLPVTIQEYLPGESGTAA-L-RADRADLRLLASTLGDWLGTLHGVRRETFGAVTGSGERTTWTAAATDQVETALRAVPEAALPASPATIAAAFARVVAEL-GPGEPASLVHGDLYLDNMLVDN-GAPAALLDFEHAHYYDRFADFGKLSELLF-EWWPGAEEPFLESYRDHFPPDPADEVRLRLGVGLYALNQTAYFARWQ-PELVGEYRTRLGKWLAAG 5IQI Chain:C ((9-302)) ----------ATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLV---NNEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISD--ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTID--NKQ--NVLEEYI-LLRETIY-NDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNI--DIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEIYKRT---

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 : 1259 -3166 -2.51 -11.11 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.67 3D Compatibility (PKB) : -2.51 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.441

(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: