Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTV--VSSNDPRFAEGDEV----------------------IATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVIS--RED-----------VYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL 3PII Chain:A ((15-336)) --------------------IKEVEKPTISYGEVLVRIKACGVCHTDLHAAHGDWPVKPKLPLIPGHEGVGIVEEVGPGVTHLKVGDRVGIPWLYSACGHCDYCLSGQETLCEHQKNAGYSVDGGYAEYCRAAADYVVKIPDNLSFEEAAPIFCAGVT---TYKALKVTGAKP--GEWVAIYGIGGFGHVAVQYAKAMGLNVVAVDIGDEKLELAKELGADLVVNPLKEDAAKFMKEKVGGVHAAVVTAVSKPAFQSAYN------------SIRRGGACVLVGLP-PEEMPIPIFDTVLNGIKIIG-SIVGTRKDLQEALQFAAEGKVK-----TIIEVQ-PLEKINEVFDRMLKGQINGRVVLTL

General information: TITO was launched using: RESULT: Template: 3PII.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 : 1597 -164971 -103.30 -578.84 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -103.30 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_3PII.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PII-query.scw PDB file : Tito_Scwrl_3PII.pdb: