Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQLVSSSRVEQKNWDR------PVLSEWIEQFVNTVQAVQ-TPVQIVAHSFGCLTSVAALAEHPELQLQVKKLILVAPANPARFGEA----G--------------------FA--RH--SL-T----DY------------KDYF------HQ-LKINVPATLLISENDPWLDFFDALQLAKSW-QLTPINLGQVGHINVASGFGPFPDLLNHLLPEDSMCSHSSIDPVKTHFSLKFA 3BF7 Chain:B ((44-254)) ------NIIQVDVRNHGLSPREPVMNYPAMAQDLVDTLDALQIDKATFIGHSMGGKAVMALTALAP---DRIDKLVAIDIAPVDYHVRRHDEIFAAINAVSESDAQTRQQAAAIMRQHLNEEGVIQFLLKSFVDGEWRFNVPVLWDQYPHIVGWEKIPAWDHPALFIPGGNSPYVSEQYRDDLLAQFPQARAHVIAGAGHWVHAEKPDAVLRAIRRYLND---------------------

General information: TITO was launched using: RESULT: Template: 3BF7.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 : 593 -1274 -2.15 -8.44 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -2.15 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_3BF7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BF7-query.scw PDB file : Tito_Scwrl_3BF7.pdb: