Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFI--AVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK 1XNG Chain:B ((13-211)) --------------------------CDFLEKEVQKRGFKKVVYGLSGGLDSAVVGVLCQ----KVFKENAHALLMPSSVSMP---ENKTDALNLCEKFSIP--YTEYSIAPYDAIFSSHFKDAS---LT--RKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELARRLNIPKKILNKPPSADLF---VGQSDEKDLGYPYSVIDPLLKDIE--------------------------------

General information: TITO was launched using: RESULT: Template: 1XNG.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 : 980 -55531 -56.66 -281.88 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -56.66 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_1XNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XNG-query.scw PDB file : Tito_Scwrl_1XNG.pdb: