Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELREKCPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGK-PQSRLDEI-KHGPALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQ--NSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 3CRA Chain:B ((4-261)) IDRLLTIMQRL-----WDKEQTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAAISDKLER--------------------------------QKAQHSALDDIPRSLPALMRAQKIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAVVDQAKLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFREVERIVAARGLEMTGVDLETMEEVWQQVKRQEI---------------

General information: TITO was launched using: RESULT: Template: 3CRA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 483 9228 19.10 42.72 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 19.10 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3CRA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CRA-query.scw PDB file : Tito_Scwrl_3CRA.pdb: