Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MQATVHESKQSIMQRILTVFVFTLLIATVGLFIGQFVPVA-----LMLPLSILEVAMIILAFW------MRRRKAVGYAFVYTFAFVSGITLFPIVSHYASIAGAYVVLEAFGSTFVIFAVL----GTIGAKMKKDLSFLWSFLLVAVLALAVVGIFNIFSPLNSAAMMAYSVIGTIVFSLYILYDLNQIKHRHITEDLIPVMALSLYLDFINLFINLLRFFGILSSDD 3R0R Chain:A ((33-226)) HPFTNGIFNTRLSRTFGYTIKRTTVKTPSWAVDMMRFNINDFLPPGGGSNPRSVPFEYYRIRKVKVEFWPCSPITQGDRGVGSSAVILDDNFVTKATALTY-DPYVNYSSRHTITQPFSYHSRYFTPKPVLDSTIDYFQPNNKRNQLWLRLQTAGNVDHVGLGTAFE--NSI----YDQEYNIRVTMYVQFREFNLKDPPL----------------------------------

General information: TITO was launched using: RESULT: Template: 3R0R.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 : 823 -124718 -151.54 -720.91 target 2D structure prediction score : 0.03 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -151.54 2D Compatibility (Sec. Struct. Predict.) : 0.03 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_3R0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R0R-query.scw PDB file : Tito_Scwrl_3R0R.pdb: