Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------WNDGGFVNKQQAHDLLINKPDGTFLLRFSDSEIGGITIAWKFDSPERNLWNLKPFTTRDFSIRSLADRLGDLSYLIYVF----------------------------------------------------------------------------------------- 2XP1 Chain:A ((2-176)) SHMKYTNPRFYKHPLFKNFNVTESENYLRS-STDDFLIRKG-SRHGYCVLVIKFAS---DVFVHMKIEEHSEHYTCSNKHFEDIDEVISVYVRPILRNLKSIKAHAKYFNSPEDAEKLLSSFDGSKVVYAFYFSRKYPGKLTFAYNNGSILEEYIGVSDMLTYNNSTFKDIDSFVAYRKR

General information: TITO was launched using: RESULT: Template: 2XP1.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 : 252 -14725 -58.43 -198.99 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -58.43 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_2XP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XP1-query.scw PDB file : Tito_Scwrl_2XP1.pdb: