Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAVVVSSENLDGQQQSSSTPASPAAEKVNLLGMSRAELEKFFEDIGEKKFRAGQVMKWIHQYFVTDFAEMTNISGKLRAKLEQICEIKAPEVVHRHYSKDGTRKWVFRVGEGSGSLVETVLIPAEDKTGSRKTLCISSQVGCALDCSFCSTGKQGFQRDLTPDEIIGQLWMANYSYMEEVPVAERERSVTNVVMMGMGEPLLNYDAVLSSMHIMLDDFAYGMSKRRVTLSTSGVVPK--IDQLAKDIDVALAISLHAPNDELRNELVPINKKYPLAQLIAACQRYIAKDGNESARKHVTIEYVMLEGVNDQPEHAQQLLKLLKNLP---SKINLIPFNPFPHAPY--GRSSRNRIISFQKTLSDAGFVCTIRQTRGDDIDAACGQLVGQVADRTRRAEQWQKKVAQRQEILRTQG 3CAN Chain:A ((7-183)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGGVTFCG-GEPLLHPEFLIDILKRCGQ-QGI-----HRAVDTTLLARKETVDEVMRNCE-LLLIDLKSMDSTVHQTFCDV----PNELILKNIRRVAEA------DFPYYIRIPLIEGVNADEKNIKLSAEFLASLPRHPEIINLLPYHD------KMQTPSEEVQQQCIQILTDYGLKATI--------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CAN.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 : 667 -6536 -9.80 -43.00 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -9.80 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3CAN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CAN-query.scw PDB file : Tito_Scwrl_3CAN.pdb: