Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAMLPEWTTACPDWEERIVAKKSLMPCEPLFPQVADVAERIFKELILVDVMGSPKMGDVTLDWVIEFVRAIFGSYNPNTKRRLIREFFLLISKKNTKSTIAAGVMLVALLLNDRLSAELIILAPTKEVADNSFNPIRDFIRADEELSAMINVS-EHTKTVTHLGT-------GATLKVIAAESNAAAGKKASIILIDEVWLFGKRAN---AESMFREAKG---GLASRPEGCVIYLSTMSDEVPCGVFKQLLDYARDVRDGIKEDKGFLPLIYEFPKRLV-----------EA--GEH-LKPEHFYITNPNLGASVDLEYLISEFKKVKDAGEESLRDFLAKHLNIEIGMNLRANRWAGAE----------------YWNKQKHV------FG------------LDQL--IEQSDVITIGIDGGGL-DDLLGYAVLGRLKKDPRVWWLWNHAWANKIALERRKENIPKYDDFKLEGSLTVVDRVGDDIDQLAA-IAKKVYDSGKLN-KIGLDPLG-LGGLLDGLLEAGIP--EESMFAVPQGYKLMSYI-LTTERKLAEGNLYHAGQQLMTWAAGNARVVMVGNGMRITKQESGVGKIDPLIATFNAVALMSMNPEPTNKEYNVFFV 4BIL Chain:E ((15-473)) -----------------------------------LKGDFVAFLFVLWKALNL-----PVPTKCQIDMAKVLANG--------DNKKFILQAFRGIGKSFITCAFVVWSLWR--DPQLKILIVSASKERADANSIFIKNIIDLLPFLSELKPRPGQRDSVISF-DVGPANPDHSPSVKSVGITG-QLTGSRADIIIADDVEIPSNSATMGAREKLWTLVQEFAALLKPLPSSRVIYLGTPQTE--MTLYKELEDNR-----------GYTTIIWPALYPRTREENLYYSQRLAPMLRAEYDENPEALAGTPTDPVRFDRDDLRERELEY---GKA---GFTLQFMLNPNLS---DAEKYPLRLRDAIVAALDLEKAPMHYQWLPNRQNIIEDLPNVGLKGDDLHTYHDCSNNSGQYQQKILVIDPSGRGKDETGYAVLYTL---NGYIYLM-EAGG----------------------------FRDGYSDKTLELLAKKAKQ--WGVQTVVYESNFGDGMFGKVFSPILLKHHNCAMEEIRARGMKEMRICDTLEPVMQTHRLVIR--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BIL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1851 -61081 -33.00 -157.42 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain E : 0.62 3D Compatibility (PKB) : -33.00 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_4BIL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BIL-query.scw PDB file : Tito_Scwrl_4BIL.pdb: