Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKNKSQPLFQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSKIGLTNFRNQYVSIVFQAYNLLPYMTALQNVTTAMEITGSKEKNKESYALDMLQKVGINE----------KQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKVSDINIRLSRGSFTVKENVAVV 4MRS Chain:A ((360-579)) --SVTFDNVVFGYDR-DREILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGRILIDGQDIAHVTQTSLR-AALGIVPQDSVLFN-DTIGYNIAYGRDGAS------RAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVA--SHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSH---

General information: TITO was launched using: RESULT: Template: 4MRS.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 : 1078 -140150 -130.01 -667.38 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -130.01 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_4MRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MRS-query.scw PDB file : Tito_Scwrl_4MRS.pdb: