Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTFQLKTLSVFLSALGAFSYSSVAQAQLMFSQYVDGSSNKKGLEIYNPDGTTVNLADYEIQQFNNGGTAKTATFRLQGTLASEQKFLVGRSELQTELGNKVNQVAALSFNGDDAVVLVYKGTPVDRFGRIGERPETGWGTAVSSLGNSFKRIETENPALSIDPTAAFDLDHSWTAWANRNDFTNLSGSTTQPPIETVSCSSSDTPIADLATSAQNQTYTVRGVITADYRYANGFSGFYVQTPDTKARANVSNAIFVYIPNSSTVKGGQIGDEVILRGRLTSYQNQLQIDQLQQDIQTCNSNMANQVQPISLELPFSSLTGGSTHSPQRYQGMLVKLPQTLMVSENYNYGRYGELSLSLGRLYIPTNLYPALSPEAKALAQKNLLSKIIFDDGYNNQNRTPWLPTNFSAANTLRSGYQLKNVEGILEYRFNGWRVQPVLGRTQPEVIAQTNSRQNVIAKNANHIRVASFNVLNYDNGATGFPTERGANTQAEFDKQHRKIVSALKSIDADVYGLMEIANNGYGP---NSAIAHLTSALG-PDWKYVIPEN--L--D----RLGTDVIAVAIIYNSKRVKPLNKAVVLD-----LGEKNRTTLAQTFQAIRGNKTFTVIPNHLKSKGCSGVDANSSDADQNDGQGCWNPTRVKAVDQIVQWLAKNPTQVPKQNALLVGDMNSYAKEAPILAFEKANY-------KVLLNDTKVG---QGAQAYSYVFGVASDANGNGGAGNLDHAIADADLYPKVVRTFAWHINADEPTVLDYNEEYKTDEQKALFYGEDAYRSSDHDPVIVDLDLNGKDSNQPNDNQKSPIFDFLSQLMEWISQLFKRS 4RUW Chain:A ((53-336)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RRDLRVMTWNIHTAVAPD------------APGVVDEPRIAAVIRAEAPDVVVLNEVHRDAPGPGSHGDQPARLAELLAADGYVHTWFGLTEVDLPHEGAVLPGSSNGNVVMSRHPFVGGGVVVPLPNENYEPGGKLRRSLLTVTVDVPG-LGDVVVHATHLSTPGSAV----------------LVEDQKEQLRIVLDHVD------ARVPSVLAGDLNIWTTDVPTQPYSQNNLMQSWIAEDHLADTWRQVNDPGAGPTMTASYGRP-ESPHP--DRRIDYVFATPAFDVVAG--HV---------------------------SLVDRFASDHLGVVMDLRLGGAPVA----------------------------

General information: TITO was launched using: RESULT: Template: 4RUW.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 : 1377 5035 3.66 19.59 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 3.66 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_4RUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RUW-query.scw PDB file : Tito_Scwrl_4RUW.pdb: