Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------MRHYTGIDQLINSFD-QALRSLVPGATAAQRQNPAETVEAKLGVEDARHVAGLMRVNHSGEVCAQALYHGQALTAKLPNVRREMQQAAIEEQDHLAWCEDRL--KELNSHTSLLNP-------------IWYGLSYGMGALAGIAGDKYSLGFVAETERQVSLHLQDHLNQLPAQDERSRKI---------LEQMNEDELHHRHTALEAGGVELP---YAVKITMTAISKLMTKTSYYL------ 5LJ5 Chain:O ((12-590)) VWTNVEDQILKAAVQKYGTHQWSKVASLLQKKTARQSELRWNEYLNPKLNFTEFSKEEDAQLLDLARELPNQWRTIADMMARPAQVCVERYNRLLEDEEKEMLAEARARLLNTQGKKATRKIRERMLEESKRIAELQKRRELKQAGINVAIKKPKKKYGTDIDYNEDIVYEQAPMPGIYDTSTEDRQIKKKFEQFERKTEVLLESIQSKVESIEQLQRKLQHVQPLEQQNNEMCSTLCHHSLPALIEGQRKYYADYYAYRQEIRSLEGRRKRLQAMLNSSSSI

General information: TITO was launched using: RESULT: Template: 5LJ5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 396 26956 68.07 127.75 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain O : 0.64 3D Compatibility (PKB) : 68.07 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.118

(partial model without unconserved sides chains): PDB file : Tito_5LJ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ5-query.scw PDB file : Tito_Scwrl_5LJ5.pdb: