Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASK----DTLLEL-----------GLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK 4MRS Chain:B ((360-580)) --SVTFDNVVFGYDRD-REILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGRILIDGQDIAHVTQTSL-RAALGIVPQDSVLFND-TIGYNIAYGRDGASRAEVDAAAKGAAIADFIARLPQGYDT-EVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVA--SHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSHL-

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 B - contact count / total energy / energy per contact / energy per residue : 1031 -72978 -70.78 -354.26 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -70.78 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.501

(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: