Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVDEKPIKIKVEKVSKIFGKQTKKAVQMLANGKTKKEILKATGSTVGVNQADFEVYDGEIFVIMGLSGSGKSTLVRMLNRLIEPTAGNIYIDGDMITNMSKDQLREVRRKKISMVFQKFALFPHRTILEN-TEYGLELQGVDKQERQQKALESLKLVGLEGFEHQYPDQLSGGMQQRVGLARALTNDPDILLMDEAFSALDPLIRKDMQDELLDLHDNVGKTIIFITHDLDEALRIGDRIVLMKDGNIVQIGTPEEILMNPSNEYVEKFVEDVDLSKVLTAGHIMKRAETVRIDKGPRVALTLMKNLGISSIYAVDKQKKLLGVIYASDAKKAAESDLSLQDILNTEFTTVPENTYLTEIFDVVSDANIPIAVVDEKQRMKGIVVRGALIGALAGNNEYINAEGTNEQTQDPSAQEVK 4YMV Chain:J ((6-240)) -------------------------------------DVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN-GKVNINKVRQK-VGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLA-NEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREF-----LSKIL-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1180 -136677 -115.83 -584.09 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain J : 0.70 3D Compatibility (PKB) : -115.83 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: