Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKIVANTADLIGDTPLVRLNRLQPENAAQVYL--KLEFFNPSGSVKDRAAYQMIIEAEQNGLLKPGSVIIEPTSGNTGIGLAMNAAARGYKAILVMPDTMTKERINLLKAYGAEVVLTPGEERM--PGS-IKKAKELAEQIPNSYIPMQFDNTANPDAHRKTTAPEIARAIEEIGKPLGAFVASSGTGGTITGTGEALKELFPDITVHVVEPAGSPV-----LSGGKPGAHKLVGTSPGFIPPILNEDVYDEIIKISDEDAYTTTRRLAAEEGILVGPSSGAACFAAIETAKRLSPDKVVVCMTADTGERYLS---TDLWSFI 4PCU Chain:B ((75-396)) --KILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPSSHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEI---LQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRW---

General information: TITO was launched using: RESULT: Template: 4PCU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1824 48103 26.37 158.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : 26.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_4PCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PCU-query.scw PDB file : Tito_Scwrl_4PCU.pdb: