Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTVLILNFPAEGHVNPTLGITKAFSDKGYDVHYISTEKYKKRLEAAGATVHLHRDLLRTTPI---HVG----SP-------NGIL-DFVKIHIKTSLDILQIVKDLSKSIQFDFVYYDKFG-AGELVRDYLDIPGVSSSASFLFGEEHLKILPLHPESGAPLELDQECEDLLAKMKETYGVAPKNLVQFMNNKGELNVVYTSRYFQPE--SDRFG-DECLF-IGPSFPKRAEKTDFPIEQLKDEKVIYISMGTVLDH--TEDFFNLCIDAFSGFNGKVVIAAGEKADLTKLKQAPENFIIAPYVPQLEVLEQSDVFITHGGMNSVNEGIHFSVPLVVMPHDKDQPMVAQR--LSELHAGYVISKDEVNAQILKQAVDEVLRNDQYTAGIKKINQSFKECMDMEEVMERIDELIRQKNK 3OTI Chain:A ((20-396)) HMRVLFVSSPGIGHLFPLIQLAWGFRTAGHDVLIAVAEH-ADRAAAAGLEVVDVAPDYSAVKVFEQVAKDNPRFAETVATRPAIDLEEWGVQIAAVNRPLVDGTMALVDDYRPDLVVYEQGATVGLLAADRAGVPAVQRNQSAWRTR--G--M--HR-------SI---ASFLTDLMDKHQVSLPEPV--------ATIESFPPSLLLEAEPEGWFMRWVPYGGGAVLGDR-------LPPVPARPEVAITMGTIELQAFGIGAVEPIIAAAGEVDADFVLALGDLDI-SPLGTLPRNVRAVGWTPLHTLLRTCTAVVHHGGGGTVMTAIDAGIPQLLAPDPRDQFQHTAREAVSRRGIGLVSTSDKVD----ADLLRRLIGDESLRTAAREVREEMVALPTPAETVRRIVERI-----

General information: TITO was launched using: RESULT: Template: 3OTI.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 : 2084 -256834 -123.24 -727.58 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -123.24 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_3OTI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OTI-query.scw PDB file : Tito_Scwrl_3OTI.pdb: