Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQMVKEKPERAVIVPKQNHVLEVKDLSIYYGNKQAVHHVNMDIEKNAVTALIGPSGCGKSTFLRNINRMNDLIPSARAEGEILYEGLNILGGNINVVSLRREIGMVFQKPNPFPK-SIYANITHALKYAGERNKAVLDEIVEESLTKAALWDEVKDRLHSSALSLSGGQQQRLCIARTLAMKPAVLLLDEPASALDPISNAKIEELITGLKRE-YSIIIVTHNMQQALRVSDRTAFFLNGELVEYGQTEQIFTSPKKQKTEDYINGKFG 4YMS Chain:J ((4-237)) ------------------------VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEE--PT---KGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDK-KDQY---PIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----

General information: TITO was launched using: RESULT: Template: 4YMS.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 : 1187 -56865 -47.91 -245.11 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain J : 0.79 3D Compatibility (PKB) : -47.91 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4YMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMS-query.scw PDB file : Tito_Scwrl_4YMS.pdb: