Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEDVVKLGPVIPVLAFDSAEQGEHVSRALHAGGVKVLEITLRTAAGLAAIERASQLADDIVVGVGTITKPEHCAQAKKAGAKFGVSPGLTKDLHLAAQDAGLPLLPGVMTPSDLIQAIELGYDIVKFFPAQQAGGVEMLKAFYGPFPNLRFCPTGGITAETAPDFLKQPNVVCVGGSWLTPKPVVAAQDWAEITRLAQIASQL 4E38 Chain:C ((24-228)) MSTINNQLKALKVIPVIAIDNAEDIIPLGKVLAENGLPAAEITFRSDAAVEAIRLLRQAQPEMLIGAGTILNGEQALAAKEAGATFVVSPGFNPNTVRACQEIGIDIVPGVNNPSTVEAALEMGLTTLKFFPAEASGGISMVKSLVGPYGDIRLMPTGGITPSNIDNYLAIPQVLACGGTWMVDKKLVTNGEWDEIARLTREIVE-

General information: TITO was launched using: RESULT: Template: 4E38.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1153 -177141 -153.63 -864.10 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -153.63 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.649

(partial model without unconserved sides chains): PDB file : Tito_4E38.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E38-query.scw PDB file : Tito_Scwrl_4E38.pdb: