Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFRNQLANVVEWEEFRDDMIFYKWNNREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDIESEIIPFLSTLKGFKFGFNSGMRAEVLFVNTKEFTVRWGTKQAINIPAAGMPGGMP----IRANGTFNFK-VQDYISLIDKIAGVKDQYFVEDIKT-RIISILDQLLMKWITREGKDMFNLQANAFDIAKGIQEDLDMQLISDGMTVTGFQIMSFNYPQEVQDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 3O21 Chain:A ((92-263)) -----------------------------------------------LHTSFVTPSFPTDADVQFVIQMRP---ALKGAILSLLSYYKWE-------KFVYLYDTERGFSVLQAIMEAAVQNNWQVTARSVGNIKDVQEFRRIIEEMDRRQEKRYLIDCEVERINTILEQVVI--LGKHSRGYHYMLANL-----GFTDILLERVMHGGANITGFQIVNNENPM-VQQFIQR-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3O21.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 : 623 -75991 -121.98 -471.99 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -121.98 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.106

(partial model without unconserved sides chains): PDB file : Tito_3O21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O21-query.scw PDB file : Tito_Scwrl_3O21.pdb: