Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFA-LEQALQQARKLIAE-----GASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKE-----SDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEA-RAQVVIMFNPVMARPQHPSSLIFPHFGFGQ--------AFTE------EELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQ----------------KGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVASHRMAVEIASAIRLADEAENLDLKQYK 2BMB Chain:A ((221-544)) -----TVSPTYIMAIFNATPDSFSDGGEHFADIESQLNDIIKLCKDALYLHESVIIDVGGCSTRPNSIQASEEEEIRRSIPLIKAIRESTELPQDKVILSIDTYRSNVAKEAIKVGVDIINDISGGLFDSNMFAVIAENPEICYILSHTRG--DISTMNRL--AHYENFALGDSIQQEFVHNTDIQQLDDLKDK-TVLI-RNVGQEIGERYIKAIDNGVKRWQILIDPGLGFAKTWKQNLQIIRHIPILKNYSFTMNSNNSQVYVNLRNMPVLLGPSRKKFIGHITKDV----------DAKQRDFATGAVVASCIGFGSDMVRVHDVKNCSKSIKLADAIYKGL-----------

General information: TITO was launched using: RESULT: Template: 2BMB.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 : 1399 18534 13.25 65.72 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 13.25 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_2BMB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BMB-query.scw PDB file : Tito_Scwrl_2BMB.pdb: