Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRLENKTAVITGAATGIGQATAEVFANEGARVIIGDINKDQMEETVDAIRKNGGQAESFHLDVSDENSVKAFADQIKDACGTIDILFNNAGVDQEGGKVHEYPVDLFDRIIAVDLRGTFLCSKYLIPLMLENGGSIINTSSMSGRAADLDRSGYNAAKGGITNLTKAMAIDYARNGIRVNSISPGTIETPLIDKLAGTKEQEMGEQFREANKWITPLGRLGQPKEMATVALFLASDDSSYVTGEDITADGGIMAYTWPGKMLIEEKWKEETK 4I5E Chain:E ((16-259)) --RLLNKTAVITGGNSGIGLATAKRFVAEGAYVFIVGRRRKELEQAAAEIGRN---VTAVKADVTKLEDLDRLYAIVREQRGSIDVLFANSGAIEQK-TLEEITPEHYDRTFDVNVRGLIFTVQKALPL-LRDGGSVILTSSVAGVLGLQAHDTYSAAKAAVRSLARTWTTELKGRSIRVNAVSPGAIDTPIIENQVST--QEEADELRAKFAAATPLGRVGRPEELAAAVLFLASDDSSYVAGIELFVDGGL--------------------

General information: TITO was launched using: RESULT: Template: 4I5E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1350 -113114 -83.79 -463.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain E : 0.80 3D Compatibility (PKB) : -83.79 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_4I5E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I5E-query.scw PDB file : Tito_Scwrl_4I5E.pdb: