Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDRPEAEIEAMSALFARHLPGLAARSVTRLGEGMDHVAYEAD---G-GLILRMSKEPDPARRADRIRREAALLALVAEI-SPLPVPRVILSDPDAGVLGYVKLPGRPLAERPV------------AEPGRLAPALGEFLTRLHLAPPERFSALAAPD---TQPLTAWLAEAERHHRAVAAHLPAAARRRIEAFLGGAPPAEPRALAFCHNDLGAEHVLAE-GGTVTGVIDWSDAEIADPAYDLGLLYRDLGPEVTASILAHYAAPWD---DAAGRRAVFYARCALLEDLAYGLRTGPRRYAEAALAHLDRTFSAWG 5IWU Chain:A ((4-299)) --------DIKQVIEIAKKHNLFLKEETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVM---PRTKVEKQALDLVNKYAISFQAPNWIIYT--EELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTPEEARMSMKQRMDAVRAKF-G-VGENLWNRWQAWLNDD-DMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRAFGEEGLEALILAYKEIGGYYWPKMKEHIIELNAAYPVSIAEFALVSGIEEYEQMAKEALEV------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 1239 -7174 -5.79 -26.38 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -5.79 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: