Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRILSVASTERSSRMIKLWRRYKPFINAGVQELITYRVNFILYRIGDVMGAFVAFYLWKAVFDSSQESLIQGFSMADITLYIIMSFVTNLLTRSDSSFMIGEEVKDGSIIMRLLRPVHFAASYLFTELGSKWLIFISVGLPFLSVIVLMKIISGQGIVEVLGLTVLYLFSLTLAYLINFFFNICFGFSAFVFKNLWGSNLLKTSIVAFMSGSLIPLAFFPKVVSDILSFLPFSSLIYTPVMIIVGKYDASQILQALLLQFFWLLVMVGLSQLIWKRVQSFITIQGG 4PBZ Chain:B ((1-22)) -KLLSSSETKRAAR-----RPYKPIALR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PBZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 28 -1252 -44.70 -56.89 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain B : 0.35 3D Compatibility (PKB) : -44.70 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.35 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_4PBZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PBZ-query.scw PDB file : Tito_Scwrl_4PBZ.pdb: