Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEKDIERILISQEEIQVRCKELGKELTEIYQNTN------PLV-VGVLKGAVPFMADIVRSIDTY---LELDFMDVSSYGNATVSSGEVKIVKDLDTNVEGRDLLIVEDIIDSGRTLAYLVDLFKYRKAKSVKIVTLLDKPEGRVVNIEADYVGFNVPNEFVVGYGLDYAEAYRNLPYIGVLKPSVYQSN 5KAP Chain:B ((19-200)) --------VLFTEAELHTRMRGVAQRIADDYSNCNLKPLENPLVIVSVLKGSFVFTADMVRILGDFGVPTRVEFLR---------------------CDIRGKHVLVLEDILDTALTLREVVDSLKKSEPASIKTLVAIDKPGGRKIPFTAEYVVADVPNVFVVGYGLDYDQSYREVRDVVILKPSVYET-

General information: TITO was launched using: RESULT: Template: 5KAP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 734 -27943 -38.07 -185.05 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -38.07 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_5KAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KAP-query.scw PDB file : Tito_Scwrl_5KAP.pdb: