Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKRPQALEKLHVAPHDKAVSITDTMTLVVKGEGGVEMRVKQTGIAQGPGSSSASGQPKSDAVMNKIKFEDLRIGSELGKGSQGKVRVAQHKITGEKYAMKYIAFDGDSDDMRSALEAELRQVAAVKHHNIVSSYEAFFRDGRLYVVLEYMDCGTMNNLIDRHPEGFSEDMLAYIARELFKGLEFLHHLNMI-HRDIKPANVLANTKGEIKISDFGVAKTLSGGDLQTLSAQGSVPYMSPERIQSKPYSFNSDIWSAGLTIAECAFREYPFASLKPK--VFELCQAIASGTAKINWDDRETKFSDEFKEFIELCL-RPEATRPSATEMLSHSLIQKASNVNPLEAGRWMSPKK 3OS3 Chain:A ((2-283)) ------------------------------------------------------------------ELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLE-IKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR-IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLI--DSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIP-----MAIFELLDYIVNEPPP---KLP--VFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKR-SDAEEVDFAGWL----

General information: TITO was launched using: RESULT: Template: 3OS3.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 : 1349 -66640 -49.40 -251.47 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -49.40 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3OS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OS3-query.scw PDB file : Tito_Scwrl_3OS3.pdb: