Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYSERLGSINNAQFQKALDKFNLG-LLTKTEKILFGNFGQNIFLTTTKGNFVLRGKPHY--SWQFKNEKLMVDLLHEKTNTKVPHPYLIDENTDIFGWSYVIMPRLGGRQLIDK-NEQKNLTLKDWKEIASAYAINLIEMHKLTYKYSGKYTDNYIGIKPFSPSFSSWIIQSINILLDKSSSYNKKTTEQDKKWITELLNHRKEALEEPFKPTFTMQDYQITNTLVDKVDGQWIVTGVFDFMESYFGDCEVDLSRMFLKLHE-NDKELAYIFLNTYLRRKKIRRGFSDRFAIYIVLDRLLVWEWAQRTGKLWWDPDMSLSDWCKRYTKLDKNYLGL 5IQI Chain:C ((9-282)) --------ATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVN---NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSY-ISDELSILGYKEIKGTFLTPEIY--STMSEEEQNLLKRDIASFLRQMHGLDYTDISECTI---------DNKQNVLEEYIL-LRETIYND---LTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNN---RLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGN--IDIEKAKEYQDIVEEYYPIETIVYG-------------------------------

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 : 1180 9004 7.63 33.47 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : 7.63 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.301

(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: