Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQIMIFLTSFMLLAMTGQTALAKDVQVSGSLLGKSSQEQAKQQVLTSELITLYGSKDSAELTYQIP--AGASSGNQQLVIEYEASNLLISPSSLTVVIDDEPVKTLKLDGDSKRKTVKLNLNKSQSAQGYHNVSLKFYGVMKEGVCVRQDTSGNWIKIYPDSRLTLADSSEAKGTSLDHYPYPFAQSGNTAEETAIVIPDNPSSAEIEAAVKTEGYLKTVDSSVSIAYVTESELKKIDKPTIVIGVDKHWNGKVKKLLKQAGLQAKGENLLLAERVLKAEGKQQPVLFAQAASEDALTKKISVMTDQ-TYTGQLSGDTLSISKLQQTEKKESDKLTLENFGAGDITIGADKTSSAHYFYPASAVLDENQSAKLSLKLKKSETIQASTAENESASQAAELKVMINGQPHSVRLDELGKEDKNGFYHVTVKVDPKLLQKNRYIDIQFVTTGLKENNPCNTTDEEKWVFIDKNSTLSYAIKGMSPSADFQEWPLPYAGNQDQTTLIVLPDTVSQSKLEELSLVTESFGNEAQHSYTVKKSSDVTANDAKGRNLIFIGGINQFSLLKEKSSDLLVPQEKNGS---FDVSSFEMLNETTKQVVFTQASVWDSRYTMAVFAPSKGDGTAVTKEIISYLNSNDESATVLNETNSQQVFTNHQQLKSETNSSDAEQPTQDHSQKWMYIGVLALIMVVAAVFIWIAVRRKKRKTDTE 2A74 Chain:A ((1-642)) SPMYSIITPN---------------------ILRLESEETM--------VLEAHDAQGDVPVTVTVHDFPGKKLVLSSEKTVLTPATNHMGNVTFTIP-ARNKFVTVQATFGTQVVEKVVLVSLQS---GYLFIQTD-KTIYTPGSTVLYRIFTVNHKLLPVGRTVMVNIENPEGIPVKQDSLSSQNQLGVLPLSWD-IPELVNMGQWKIRAYYENSPQQ-------VFSTEFEVKEYVLPSFEVIVEP--TEKFYYIYNEKGLEVTITARFLYGKKVEGTAFVIFGIQDGEQRISLPESLKRIPIEDGSGEVVLSRKVLLDGVRAEDLVGKSLYVSATVILHSGSDMVQAERSGIPIVTSPYQIHFTKTPKYFKPGMPFDLMVFVTNPDG---SPAYRVPVAVQGEDTV-----QSLTQGDGVAKLSINTHPS--QKPLSITVRTKKQELSEAEQATRTMQALPYSTVGNSNNYLHLSVLRTELR--------PGETLNVNFLLRMDRAHEAKIRYYTYLIMNKG-------RLLKAGRQVREPGQDLVVLPLSITTDFIPSFRLVAYYTLIGASGQREVVADSVWVDVKDSCVGSLVVKSGQSEDRQPV-----PGQQMTLKIEGDHGARVVLVAVDKGVFVLNKKNKL--TQSKIWDVVEKADIGCTPGSGKDYAGVFSDAGLTFTSSS---GQQTAQRAELQCPQ

General information: TITO was launched using: RESULT: Template: 2A74.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 : 3339 -110376 -33.06 -176.88 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -33.06 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.160

(partial model without unconserved sides chains): PDB file : Tito_2A74.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A74-query.scw PDB file : Tito_Scwrl_2A74.pdb: