Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTGDPTDAEVREIGILAGNQRATCDDRAYFQAAAERLAMLPDASEPDVPVLLLEQHYGQ------QGA-LTAL-SSEVERTFDARLAD---------GRAFILKTSSRPQ-ALESFQFQSAALAGLRGADGVMAPKVIDTLSGGLMFEHEGGCGYLQTRMDGIPLHMVP-RTPEILREVGAALARLNLAMKDTDPPAAR--RPVLW-NIACWPW-LVELE--RYLS--KGRTAKLVRSAMAEYIRDISPHIADLDWQVTHNDPSPFNMIDTGKGIGFIDFGDGGWNPRVQDLAIAAGHFVIDP--------------RTPLGGAEHVIAGYASLAPLSELEASLLLGLMRARQSALVLINNWRSHLFPAAAPYIMKNVKRAEQGLAVLALLDVSSGEAAIRAAAGLDPP 3C5I Chain:D ((12-293)) ----------------------------------------------TDPLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKY-KI-APQLLNTF----------NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNY--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 890 -16066 -18.05 -67.79 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -18.05 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.208

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: