Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTGDPTDAEVREIGILAGNQRATCDDRAYFQAAAERLAMLPDASEPDVPVLLLEQHYGQQGALTALS----SEVERTFDARLADGRAFILK---TSSRPQALESFQFQSAALAGLRGADGVMAPKVIDTLSGGLMFEHEGGCGYLQTRMD-GIPLHMVPRTPEILREVGAALARLNLAMKDTDPPAARRPVLW----------------------NIACWPWLVELERYLSKGRTAKLVRSAMAEYIRDISPHIADLDWQVTHNDPSPFNMI---DTGKGIGFIDFGDGGWNPRVQDLAIAAGHFVIDPRTPLGGAEHVIAGYASLAPLSELEASLLLGLMRARQSALVLINNWRSHLFPAAAPYIMKNVKRAEQGLAVLALLDVSSGEAAIRAAAGLDPP 4OCQ Chain:A ((23-248)) -----------------------------------------------ESNEVLFGIASHFALEGAVTGIEPYGDGHINTTY-LVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLK-AQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPN-PDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQP---EIDFYLSHADQYAVVMDGL----RDGS-----IPLRVTHNDTKLNNILMDATTGKARAIID--------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCQ.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 : 550 -16692 -30.35 -86.49 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -30.35 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.164

(partial model without unconserved sides chains): PDB file : Tito_4OCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocq-query.scw PDB file : Tito_Scwrl_4OCQ.pdb: