Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQINPALAQAIEADSG--FELTQVEFIGAGWFAQAYRFCSQAKHYVVRISKHY---HDFLKDVYAYQHWGQ----QLPIPAILAHGQFADGWAYAISPHIAGQTIVSLE-----AAELRQIQPALFKSLQQLHQLKLGPVTGWGSVNSQGHGRYQSWAEEVLDIGNYKFDFDWHDWIKRDDQTGTLLRQGYRLMEQLLSTISTERSLIHRDFGFDNVLCQP-PTIVAVLDWADFGYGDWVYDIAQQSCYGQAEIYLQPWL--KFA-QQHDLI-PDNFEKRLHCYWLRMNLTDLIVSQLRNDWHWQRKIVAELSWLIENPVVVRLNQ 5IQI Chain:C ((9-285)) -ATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVN---NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISDE-LSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECT---------IDNKQNVLEEYILLRET--IYNDLTD--IEKDYIESFMERLNATT-VFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDS---EEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKN---------------------------

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 : 1102 -1368 -1.24 -5.30 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -1.24 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.330

(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: