Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVCRGLEKLIIGKKISSIEIRYPKMIKTDLEEFQRELPSQIIESMGRRGKYLLFYLT-DKVLISHLRMEGKYFYYPDQGPERKHAHVFFHFEDGGTLVYEDVRKFGTMELLVPDLLDAYFISKKLGPEPSEQDFDLQVFQAALAKSKKPIKSHLLDQTLVAGLGNIYVDEVLWRAQVHPARPSQTLTAEEATAIHDQTIAVLGQAVEKGGSTIRTYTNAFGEDGSMQDFHQVYDKTGQECVRC-GTIIEKIQLGGRGTHFCPNCQRRD 4PD2 Chain:A ((1-272)) -PELPEVETVRRELEKRIVGQKIISIEATYPRMVLTGFEQLKKELTGKTIQGISRRGKYLIFEIGDDFRLISHLRMEGKYRLATLDAPREKHDHLTMKFADG-QLIYADVRKFGTWELISTDQVLPYFLKKKIGPEPTYEDFDEKLFREKLRKSTKKIKPYLLEQTLVAGLGNIYVDEVLWLAKIHPEKETNQLIESSIHLLHDSIIEILQKAIKLGGSSIRTYS-ALGSTGKMQNELQVYGKTGEKCSRGHGAEIQKIKVAGRGTHFCPVCQQK-

General information: TITO was launched using: RESULT: Template: 4PD2.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 : 1424 -13274 -9.32 -49.16 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -9.32 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4PD2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PD2-query.scw PDB file : Tito_Scwrl_4PD2.pdb: