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

General information: TITO was launched using: RESULT: Template: 4YMW.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 : 1161 -134922 -116.21 -576.59 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain J : 0.70 3D Compatibility (PKB) : -116.21 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_4YMW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMW-query.scw PDB file : Tito_Scwrl_4YMW.pdb: