Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGFSHFNEQGRAQMVDISEKSSTVRTAAAVSSVHMKNEVYEKIQSHDIGKGDVLAVAQVAGIMAAKQTSNIIPMCHPLSLSGVDISFDWKIKEAEVILHIKAQVKTKGSTGVEMEALTSASVCALTVYDMCKALDKGMVIGPTFLLEKTGGKNGDFKRELSEYNLEDQK 4PYD Chain:D ((5-156)) ----THINAAGEAHMVDVSAKAETVREARAEAFVTMRSETLAMIIDGRHHKGDVFATARIAGIQAAKRTWDLIPLCHPLMLSKVEVNLQAEPEHNRV--RIETLCRLTGKTGVEMEALTAASVAALTIYDMCKAVQKDMVIGPVRLLAKSGGK--DFK------------

General information: TITO was launched using: RESULT: Template: 4PYD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 733 -78239 -106.74 -521.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : -106.74 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_4PYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYD-query.scw PDB file : Tito_Scwrl_4PYD.pdb: