Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAPKRLGKYELGRTLGTGNFSKVKIARDTETGKEWAIKVIDKEQLVRERMEEQLKREIAVMKMLRQPNIIELHEVMQTSHHIYLVLELVTGGELFEKIASAKRFDEPTARHYFHQLICGINYCHRQGIAHRDLKPENLLLDANDTLKISDFGLSNLQRTSVSGGTMLQTVCGTPNYVAPEVLKEQGYDGLKADIWSCGVVLFVMMAGYLPFDDENVNALFTKIERGEFRMARHFSADARDLISRMLTVDPQERISLDDVIAHPWFCVDWNPAMLTRGESHSSPNTAQISNAIRNM 5EAK Chain:A ((14-270)) ------IGNYRLLKTIGKGNFAKVKLARHILTGKEVAVKIIDKTQLNSSSLQ-KLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVFDYLVAHGRMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFS---------------FCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWMNV----------------------------

General information: TITO was launched using: RESULT: Template: 5EAK.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 : 1190 -144142 -121.13 -585.94 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -121.13 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_5EAK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EAK-query.scw PDB file : Tito_Scwrl_5EAK.pdb: