Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELREK---CPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGKPQSRLDEIKHG-PALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEF----KQALKNQNSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 3CRC Chain:A ((6-261)) IDRLLTIMQRLRDPENGCPWDKEQTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAAISDKLERRHP---------------------------------SALDDIPRSLPALMRAQKIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAVVDQA--KLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFREVERIVAARGLEMT--DLETMEEVWQQVARQ-----------------

General information: TITO was launched using: RESULT: Template: 3CRC.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 : 496 12335 24.87 57.64 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 24.87 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3CRC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CRC-query.scw PDB file : Tito_Scwrl_3CRC.pdb: