Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQWEPQQTLEPPLALELIREQFPDLSPVQIRVLGAGWDNTAFVINEDLIFRFPRREIAVPLLEAEWCILPKLAPRLPLPIPIPKWRGSPASRFPWPFIGYKMLPGFT---ACYANLSEREREALAQPIARFLSHLHATPRSIISGCQIPGDNQGRIDWKQLMPKIRKNIEELSLLSLLEKRNELEALLESLQNLRP-PMASIVVHGDFYVRHILVDEIHHFAGVIDWGDIHLGDPAIDLSVAHSFLPFCAHEKFREAYGEISTDTWSLALLRAIYSSTLLVLYGHHSKDPVILREGLRSLKIMVGK 5IQI Chain:A ((8-232)) -------NATNVKAMKY-LIEHYFDNFKVDSIEIIGSGYDSVAYLVNNEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISD-ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTI--DNKQNVLEEYIL--LRETI--YNDLTDIEK-DYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDF-------------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 838 -58877 -70.26 -266.41 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -70.26 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.314

(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: