Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MDIQTVLSDLKLNGKVIPVV---GGDVNQTYRIKTEHRAYFLKIH------------PNVKKGFFEAEVDGLKELSAFVRVPDTYMLGETSEGAYLLMEWIE--------PGKGDQRDLAAALANLHQQTAPQFGFRKDNYLGTLVQKNSFEEDWWTFFFKDRLESQISLAEETNRWNVQRQEKYLRFKERVLKSVEPKKITPRLLHGDLWSGNVFFDQQ--GHPVFVDP--------------AVSYG-----NREQDIAM----SQLFGGFRPEFLDAYQTIFPLEKGWKDRLPIYQLYYLLAHLNMFGESYGSQVDQLLENF------------------------------------ 4OCV Chain:A ((24-378)) TNEALFDVASHFALEGTVDSIEPYGDGHINTTYLVTTDGPRYILQRMNTGIFPDTVNLMRNVELVTSTLKAQGKETLD-IVRTTSGDTWAEIDGGAWRVYKFIEHTMSYNLVPNPDVFREAGRAFGDFQNFLSGFDANQLTETIAHFHDTPHRFEDFKKALAADELGRAAGCGPEI-EFYLSHADQY----AVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDERDLDKVHFSTELFRAYTEGFVGELRD--SITAREAELLPFSGNLLTMECGMRFLADYLEGDVYFATKYPEHNLVRSRTQIKLVREMEQRADETRAIVADVMETT

General information: TITO was launched using: RESULT: Template: 4OCV.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 : 1133 39382 34.76 146.40 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 34.76 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_4OCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocv-query.scw PDB file : Tito_Scwrl_4OCV.pdb: