Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNATLNYQPHWVREDFVDFVLQKINATWAWKRVLAEVTAVQSLHTDMVLIKLKPNRNFNFDQVRAGESILLTLLIDGVYQQRSYSIIEVTTQGEIALGIKVQGLVSRAAQLLHVGECVEISQPQGDFTLHQGQQPAILIASGSGVTAIYSLLQQALKQQLEQIHVIYFNR---AEIFHAELKALAEQYPQLQYHFFNTTEQKQHLTESLLQKLVPDFEQTATYVCGHHGMMQQANEIYTQKGAQSQLHQEYFQPLQVTGTHAAQ--PVIFRRAQQ----EFLAETNLLGSAEQAGLRPQHGCRMGVCNKCSCTKVSGVTQNLLTGEIEDQPNRPIKLCVSQALSPVTIDL 2PIA Chain:A ((93-314)) ------------------------------------------------------------------------------------------------------------------GDAVEVSLPRNEFPLDKRAKSFILVAGGIGITPMLSMARQLRAEGLRSFRLYYLTRDPEGTAFFDELTS-DEWRSDVKIHHDHGDPTKAFDFWSVFEKSKP---AQHVYCCGPQALMDTVRDM-TGHWPSGTVH---FESFGATNTNARENTPFTVRLSRSGTSFEIPANRSILEVLRDANVRVPSSCESGTCGSCKTALCSGEADHRDMVLRDDEKGTQIMVCVSRAKS------

General information: TITO was launched using: RESULT: Template: 2PIA.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 : 813 -25636 -31.53 -120.36 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -31.53 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_2PIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PIA-query.scw PDB file : Tito_Scwrl_2PIA.pdb: