Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFLSEHLIYRDDDFMVIHKPSDILSVPGKGDLHDSVLTRLVAIEPRTLLIHRLDRDTSGILVFGLSKRGQSAIARQFQDRQTSKIYEALVAGHLEGEGTVDIPVVYDPSRPPLHIVDASHNKPALTHWQAIEHFQIQGQPVTRVKLTPITGRSHQLRVHMQYLGHPIVGDTLYATPEQLLVPRLCLHAKQLSFNHPVTGESLTFNCPVPF 2GML Chain:A ((1-145)) ------------DLVLIALNKPVGIVSTTEDGE-RDNIVDFVNH-SKRVFPIGRLDKDSQGLIFLTNHGDLVNKILRAG--NDHEKEYLVTVDKPITE-EFIRG-MS---AG---VPILGTVTKKCKVK-----K-----EAPFVFRITLVQGLNRQIRRMCEHFGYEVKKLERTRIMN---------------------------------

General information: TITO was launched using: RESULT: Template: 2GML.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 : 635 -58970 -92.87 -406.69 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -92.87 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_2GML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GML-query.scw PDB file : Tito_Scwrl_2GML.pdb: