Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTLDEMTTVTDDQSELTMSVLMTPDMANFSGNVHGGTILKLLDQVAYACASRYSGSYVVTLSVDKVNFKEPIYVGELVTFLASVNHVGRTSMEVGIRVEAQNIQKRTVRHTNSCYFTMVAVDEHGKPRKVPKLNLDTEWKRCRFEAAEHRKVLRLQENHNPSCSMYKKTS 4IEN Chain:A ((8-161)) ---------RQLPSHELIMSELMMPDTANFSGNVHGGELLLLLDQVAYSCASRYSGNYCVTLSVDKVLFKEPIHIGDLVTFYAAVNYTGRTSMEIGIRVEAQNIRTGEIRHTNSCYFTMVAVK-DGKPVPVPPLEILTDRQRCRYEKAKKRRDISLQASEDMSC-------

General information: TITO was launched using: RESULT: Template: 4IEN.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 : 673 -83553 -124.15 -542.55 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -124.15 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_4IEN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IEN-query.scw PDB file : Tito_Scwrl_4IEN.pdb: