Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAMIKFDHVDKYYGKFHALKNINLEFEKGEVVVVIGPSGSGKSTMLRCINGLETISSGKLLINDTDLHDKKTKLTEVRKNIGMVFQHFNLYPNKTVLENITLAPIKVLKQDQATAVKNAEKFLKTVNMLDKKDSYPSMLSGGQQQRVAIARGLAMNPEMLLFDEPTSALDPEMIGDVLDVMKKLAHDGMSMIVVTHEMGFAKEVADRVIFMADGEVLEDSRNVRDFFENPNEVRAQQFISKVINH 4YMT Chain:J ((1-240)) --MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNE-RTREFLSKIL--

General information: TITO was launched using: RESULT: Template: 4YMT.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 : 1271 -155786 -122.57 -649.11 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain J : 0.88 3D Compatibility (PKB) : -122.57 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4YMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMT-query.scw PDB file : Tito_Scwrl_4YMT.pdb: