Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKNKSQPL--FQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSK-IGLTNFRNQYVSIVFQAYNLLPYMTALQNVTTA-MEITGSKEKNKESYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAK-VSDINIRLSRGSFTVKENVAVV 4U00 Chain:A ((3-206)) -PIIRIRNLHKWFG----PLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRRE-VGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILD-QARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQG-GMTMVVVTHEMGFAREVAD-------------------

General information: TITO was launched using: RESULT: Template: 4U00.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1004 -117466 -117.00 -590.28 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -117.00 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_4U00.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U00-query.scw PDB file : Tito_Scwrl_4U00.pdb: