Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFRNQLANVVEWEEFRDDMIFYKWNNREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDIESEIIPFLSTLKGFKFGFNSGMRAEVLFVNTKEFTVRWGTKQAINIPAAGMPGGMPIRANGTFNFKVQDYISLIDKIAGVKDQYFVEDIKTRIISILDQLLMKWITREGKDMFNLQANAFDIAKGIQEDLDMQLISDGMTVTGFQIMSFNYPQEVQDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 1WIN Chain:A ((2-136)) ------------------------------------------------------------------------------------SSGS-SGQRISLEIMTLQPRCE-DV--ETAE---GVALTVTGVAQVKIMTEKELLAVACEQFLGKNVQDIKNVVLQTLEGHLRSILGTL--TVEQIYQDRDQFAKLVREVAAPDVGRMGIEILSFTIKDVYDKVDYLSSLGKTQ-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WIN.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 : 540 -83656 -154.92 -619.67 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -154.92 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_1WIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WIN-query.scw PDB file : Tito_Scwrl_1WIN.pdb: