Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTTIIGFPRLGEFRELKFTTEKYFRKEISEEELLAAAKDLRAKHWNIVKEKGITEIPSNDFSHYDNFLDAAFLFNVVPASVQNLDLSDLERYFALGRGYQGEKGDVRALPMKKWFNTNYHYIVPKFEKDTQVKLAGHKIFDEFQEAKELGLNTRPVLVGPFTFLQLSD-----FEEGVKADDFVDSFVAAYQEVFAKLADLGATRIQLDEAALVKDLTAEEKALFLNLYNKLLADKKGLEVLFQTYFGDVRDVYADLVNLPVDAIGLDFVEGKKTLE-LVKGGFPADKTLYVGIVNGKNIWRNNYEKSLTVLEQIPAENIVLTSSCSLLHVPFTTANEEFEPA-LLNHFAFAVEKLDEIRDLDAIRNGQGSEALAANKELFATERVGENAELRARIAGLTDADYTRLPAFAEREAIQEEAFKLPALPTTTIGSFPQTKEVRAKRLAYRKGELSQKEYDAFLAETIDEWIKWQEDIDFDVLVHGEFERNDMVEYFGQNLSGYLFSKNGWVQSYGMRGVKPPIIWGDVTRLNPITVKWSSYAQSRTNKPVKGMLTGPVTILNWSFPREDISIKDSTLQIALAIKDEVLDLEAAGVKIIQIDEAALREKLPLRRSDWYEDYLDWAIPAFRLVHSTVAPDTQIHTHMCYSEFTDIIPAIDNMDADVISFEASRSNLEILDELKA-KNFQTEVGPGVYDIHSPRVPNEGEIDNTIEAILAKVPSKKVWINPDCGLKTRGIPETKESLIRLVEAAKAAREKL 3BQ5 Chain:B ((39-762)) ------GFPKIGEKREFKKALEDFWKGKITEEQFEEEMNKLRMYMVENYR-KNVDVIPSNELSYYDFVLDTAVMVGAVPERFG--EYRGLSTYFDMARG-------GKALEMTKFFNTNYHYLVPEIETE-EFYLLENKPLEDYLFFKSKGIETAPWVIGPFTFLYLSKRNGEWIRRPNQMEKLLESLVSVYKEVFEKLVENGCKEILVNEPAFVCDLEKAHWDLILNVYREL----SEFPLTVFTYYDSVSD-YEACVSLPVKRLHFDFVSNEENLKNLEKHGFPEDKKLVAGVINGRQPWKVDLRKVASLVEKLGASAI--SNSCPLFHLPVTLELENNLPGGLKEKLAFAKEKLEELKMLKDFLEGKTFDLPN------AV-----DLQAVERVRNLPEDSFRREKEYTERDRIQRERLNLPLFPTTTIGSFPQTPEVRKMRSKYRK--ISKEEYEAFIKEQIKKAIELQEEIGLDVLVHGEFERTDMVEFFAEKLNGIATTQNGWVLSYGSRCYRPPIIYGTVTRPEPMTLKEITYAQSLTEKPVKGMLTGPVTIMSWSYYREDIPEREIAYQIALAINEEVKDLEEAGIKIVQIDEPAFREKAPIKKSKWPE-YFEWAINAFNLA-ANARPETQIHAHMCYSDFNEIIEYIHQLEFDVISIEASRSKGEIISAFENFKGWIKQIGVGVWDIHSPAVPSINEMREIVERVLRVLPKELIWINPDCGLKTRNWDEVIPSLRNMVALAKEMRE--

General information: TITO was launched using: RESULT: Template: 3BQ5.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 : 3994 74441 18.64 105.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : 18.64 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3BQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BQ5-query.scw PDB file : Tito_Scwrl_3BQ5.pdb: