Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNILRAMVILLIICGTYVLFIQYGSVPEKKSNDSEPQVSNEEAQSGKRIHMPTSGLLSFMGKHADEVTKKLGEPERIDPSAYDYDWWVYNQGKDQYIQIGVLNNKVVTLFASGNDINAKPFKIGESTGEVFKTTQVAPFVNVEYKGNSYRFEFSEEDINTRPTVKVGKMYVQLYMDKFEGKLSSIRAFDAQTFVKQRPYEVVYRGELIKPKAVSDEKWKKIQTTSEKQILDLTNVIRVKH----------------GLAKLEWDQPTAEVAFGHSEDMKENNYFSHVSKKYGSLKDRLEEGHVDFQQAGENIAYN---------YVDGPAAVEGWLN----------------SEGHRKALLNSDYTHLGVGVDRKYYTQNFIKRW 3NT8 Chain:A ((32-164)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITDSDRQAFLDFHNNARRRVAKGLEDSNSGKLNPAKNMYKLSWDCAMEQQLQDAIQSCPS----GFAGIQ----------------GVAQNTMSWSSSGGYPDPSVKIEPTLSGWWSGAKKNGVGPDNKYTGGGLFAFSNMVYSETTKLGCAY-------------

General information: TITO was launched using: RESULT: Template: 3NT8.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 : 302 -22888 -75.79 -248.78 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -75.79 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_3NT8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NT8-query.scw PDB file : Tito_Scwrl_3NT8.pdb: