Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKN-KSQPLFQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVS--KIGLTNFRNQYVSIVFQAYNLLPYMTALQNVTTA-MEITGSKEKNKESYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKVSDINIRLSRGSFTVKENVAVV 4YMS Chain:J ((8-200)) ------------YKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKK-DQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLAN-EGMTMVVVTHEMGFAR----------------------

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 : 860 -99274 -115.43 -525.26 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain J : 0.79 3D Compatibility (PKB) : -115.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.469

(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: