Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKAD-WFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFD------TTPNFYQLRIEAYLLATGVKHP------ELRPLFEA---------EAARLA----ATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS 2PUL Chain:A ((58-275)) ------------------------------------------------------------LIIKQAVPYAKV--ESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLS-HLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNAL---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PUL.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 : 633 -18534 -29.28 -97.54 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -29.28 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_2PUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pul-query.scw PDB file : Tito_Scwrl_2PUL.pdb: