Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKSILKIAAAACDDKRAEDILALDMEGISLVADYFLICHGNSDKQVQAIAREIKDQADENGIQVKKMEGFDEARWVLVDLGDVVVHVFHKDERSYYNLEKLWGDAPLADLDFGMNQ 3UPS Chain:A ((14-118)) FDPE-LLKLVTDSLDDDQALEIATIPLAGKSSIADY-VIASGRSSRQVTA-AQKLADRIKAATGYVSKIEGLPAADWVLLDAGDIIIHLFRPEVRSFYNLERMWG-------------

General information: TITO was launched using: RESULT: Template: 3UPS.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 : 442 -1984 -4.49 -19.45 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -4.49 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.075

(partial model without unconserved sides chains): PDB file : Tito_3UPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UPS-query.scw PDB file : Tito_Scwrl_3UPS.pdb: