Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHLGFKFIPIITRDPSAPLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALK--RCGLTMNRRGEGNIAVENYW 3FPK Chain:B ((11-251)) ---------KVTKVQNWTDALFSLTVHAPIN-PFTAGQFTKLGLEIDGERVQRAYSYVNAPDNPNLEFYLVTVPQGKLSPRLAALKPGDEVQVVSDASGFFVLD--EVPDCETLWMLATGTAIGPYLSILQYGQDVARFKNLVLVHAARFAADLSYLPLMLELQQRY-EGKLRIQTV-VSRENVPGSLTGRVPALIENGELEKAVGLPMDKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHYW

General information: TITO was launched using: RESULT: Template: 3FPK.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 : 1316 -186420 -141.66 -780.00 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -141.66 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3FPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FPK-query.scw PDB file : Tito_Scwrl_3FPK.pdb: