Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRDRIMQITIRGHHLAITPAIEENIKAKFNQLTKHLDQVNSMQIKLTKDHQIDKRSHKGSSNHVAEAIVRLPGIELFAQATADDMYTSIKKLTEKLKKQLLKYRKMQCTYSQVAVSI 4HEI Chain:B ((1-91)) -----MQINIQGHHIDLTDSMQDYVHSKFDKLERFFDHINHVQVILRVEKL----------RQIAEATLHVNQAEIHAHADDENMYAAIDSLVDKLVRQLNKHKEK-----------

General information: TITO was launched using: RESULT: Template: 4HEI.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 : 385 -59144 -153.62 -649.93 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -153.62 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_4HEI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HEI-query.scw PDB file : Tito_Scwrl_4HEI.pdb: