Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFRNQLANVVEWEEFRDDMIFYKWNNREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDIESEIIPFLSTLKGFKFGFNSGMRAEVLFVNTKEFTVRWGTKQAINIPAAGMPGGMPIRANGTFNFKVQDYISLIDKIAGVKDQ-----YFVEDIK---TRIISILDQLLMKWITREGKDMFNLQANAFDIAKGIQEDLDMQLISDGMTVTGFQIMSFNYPQEVQDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 1WIN Chain:A ((32-135)) ----------------------------------------------------------------------------------------------------LTVTGVAQVKIMTEKELLAVACEQFLG--KNVQDIKNVVLQTLEGHLRSILGTLTVEQIYQDRDQFAKLVREVAAPDVGRMGIEILSFTIKDVYDKVDYLSSLGKT-----------------------------------------------------------------------------------------------------------------------------

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 : 295 -42634 -144.52 -444.10 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -144.52 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.333

(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: