Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLYYSPGACSLAAHIILNEINVDFDLERVNLKTHKTEKGADYYEINPKGYVPALEINPGLILTENVAILPFLAQHDPKQDLIPPSG-LGRAKVLEWLGYLNSELHDAYAVFFGAPLTNDEKTKAYAEIDRLLKYIDNYLAESDYDYLVNDNFGPADAYLFVLTNWSNSIEHDLTPYKHIIALRNKVAERQSVQIAMRDEGLIS 2PVQ Chain:A ((1-200)) MKLYYKVGAASLAPHIILSEAGLPYELEAVDLKAKKTADGGDYFAVNPRGAVPALEVKPGTVITQNAAILQYIGDHSDVAAFKPAYGSIERARLQEALGFC-SDLHAAFSGLFAPNLSEEARAGVIANINRRLGQLEAMLSDKN-AYWLGDDFTQPDAYASVIIGWGVGQKLDLSAYPKALKLRERVLARPNVQKAFKEEGL--

General information: TITO was launched using: RESULT: Template: 2PVQ.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 : 900 -72512 -80.57 -364.38 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -80.57 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_2PVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PVQ-query.scw PDB file : Tito_Scwrl_2PVQ.pdb: