Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMSFDLKVSLQQRSEPSAQQKKLNRLIDKIEQQKVSLSTWQNAQAEIQQHMRQKLMPVYNDLHTVLFQQLEQLWNILHSHEFSKADIQQLDEKIAQLAQMLKRSKMLSAEQLELVKQIDTFYQQHAGESVKKNKKVQPIKSEYEESVDQRAELEEEFEKYAAEQQQAREQAKQQRQQQKREQAEQMAAQSLKTVYLKIAAMIHPDGEQDETKKYEKNELFQQASQAYEKQDLFYLLKLQLQLEQNKGLGAKELSAEQLRFYKLALDAQSQQLESQIAEILDSFQLAKNIKAEHVHISDVYKAIDADCAELKQQLKWERERLKHMKKVSVVEMLLGHGVL 5M6U Chain:B ((478-558)) ---------------------------------------------------------------------------------QMKRTAIEAFNETIKIFEEQCQTQERYSKEYIEKFKR-----EGNETEIQRIMHNYEKLKSRISEIVDSRRRLEEDLKKQAAEYRE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5M6U.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 : 95 -4607 -48.49 -56.87 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -48.49 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.684

(partial model without unconserved sides chains): PDB file : Tito_5M6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M6U-query.scw PDB file : Tito_Scwrl_5M6U.pdb: