Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELR---EKCPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGK-PQSRLDEI-KHGPALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQ--NSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 3CRA Chain:A ((4-260)) IDRLLTIMQRLRDPENGCPWDKEQTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAAISDKLERR------------------LARWEQIKTEERAQKAQHSALDDIPRSLPALMRAQKIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAVVDQAKLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFREVERIVAARGLEMT----ETMEEVWQQVKRQE----------------

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 A - contact count / total energy / energy per contact / energy per residue : 521 39685 76.17 172.54 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 76.17 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.447

(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: