Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQ--ADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFA-PLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTENNPILDM--LKEYENLGYEVMICHSKGD--ISALSQRLDGETVAFVGQSGVGKSSLINVLIPDAEQKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREF-GLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLI----DEIQEAQQKN 2YV5 Chain:A ((44-297)) -------------------------------------------------------------------------------------------IYAGDYV-WGEVVDPNTFA--IEEVEERKNLLIRPK--------VANVDRVIIVETLKMPEFNNYLLDNMLVVYEYFKVEPVIVFNKIDLLNEEEKKELERWISIYRDAGYDVLKVSAKTGEGIDELVDYLEGFICILAGPSGVGKSSILSRLTGE-ELRTQEV---------TTTGVRLIPFGKGSFVGDTPGFSKVEATMFVKPREVRNYFREFLRY--QCKYPDCTHTNEPGCAVKEAVKNGEISCERYKSYLKIIKVYLEEIKE-----

General information: TITO was launched using: RESULT: Template: 2YV5.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 : 1129 -7468 -6.61 -32.05 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -6.61 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_2YV5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YV5-query.scw PDB file : Tito_Scwrl_2YV5.pdb: