Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIILKEFKPMSLLAFENVSKSYGATPALENVSLDIPAGKIVGLLGPNGSGKTTLIKLINGLLQPDQGRVLINDMDPS----PATKAVVAYLPDTTYLNEQMKVKEALTYFKTFYKDFNLERAHHLLADLGID-------------ENSRLKKLSKGNKEKVQLILVMSRDARLYVLDEPIGGVDPAARAYILNTIINNYSPTSTVLISTHLISDIEPILDEIVFLKDGKVVRQGNVDDIRYESGESIDQLFRQEFKA 5MKK Chain:B ((335-563)) ---------SGEVRFEGVGLKRDGRWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFS-ETILENIAFGLDEV---DRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLG-KQTTLLISHRTAALR-HADWIIVLDGGRIVEEGTHESLLQAGG-------------

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 1148 -33427 -29.12 -157.67 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -29.12 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: