Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYNWNETNVITMPKEKEVALYTDDLHVWYGDNEAIKGVDLEFEKNKITALIGPSGCGKSTYLRSLNRMNDGIANTKITGKIMYQGVDINAPQVDVYEMRKRIGMVFQRPNPFSK-SIYDNITFALKQHGEKNKKKLDEIVETSLKQAALWDQVKDSLDKSALALSGGQQQRLCIARAIAMKPDILLLDEPASALDPISTGTVEETLVNL-KEDYTIIIVTHNMQQAARISDYTAFFYLGKVMEYDKTNKIFTRPKIQATEDYVSGHFG 4YMT Chain:J ((2-237)) ---------------------IFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEE-----PTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKK----DQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----

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 : 1233 -65788 -53.36 -281.15 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain J : 0.79 3D Compatibility (PKB) : -53.36 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.476

(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: