Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNILRAMVILLIICGTYVLFIQYGSVPEKKSNDSEPQVSNEEAQSGKRIHMPTSGLLSFMGKHADEVTKKLGEPERIDPSAYDYDWWVYNQGKDQYIQIGVLNNKVVTLFASGNDINAKPFKIGESTGEVFKTTQVAPFVNVEYKGNSYRFEFSEEDINTRPTVKVGKMYVQLYMDKFEGKLSSIRAFDAQTFVKQRPYEVVYRGELIKPKAVSDEKWKKIQTTSEKQILDLTNVIRVKHG-----LAKLEWDQPTAEVAFGHSEDMKENNYFSHVSKKYGSLKDRLEEGHVDFQQAGENIAYNY--VDGPAAVEGWLN----------------SEGHRKALLNSDYTHLGVGVDRKYYTQNFIKRW 1XTA Chain:A ((10-132)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RRKKKQKEIVDLHNSLRRRVSPTASNMLKMEWYPEAASNAERWANTCS----LNHSPDNL-----R----VLEGIQCGESIYMSSNARTWTEIIHLWHDEYKNFVYGVGASPPGSVTGHYTQIVWYQTYRAGCAVS------------

General information: TITO was launched using: RESULT: Template: 1XTA.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 : 332 -24941 -75.12 -249.41 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -75.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.259

(partial model without unconserved sides chains): PDB file : Tito_1XTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XTA-query.scw PDB file : Tito_Scwrl_1XTA.pdb: