Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELREK---CPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGKPQ-SRLDEIKHG-PALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEF----KQALKNQNSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 3CRA Chain:A ((4-259)) IDRLLTIMQRLRDPENGCPWDKEQTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAAISDKLERR------------------LARWEQIKTEERAQKAQHSALDDIPRSLPALMRAQKIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAVVDQA--KLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFREVERIVAARGLEMT----ETMEEVWQQVKRQ-----------------

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 : 505 39562 78.34 174.28 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 78.34 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.405

(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: