Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIHDAIALAASHGLNLVPRGARVNDAGLDYRVVMASDEGGRRWVLRLPRRADVAAGMAAEARVLGLVGPVLAADGIAVPDWRIRSPELVAYPALTGAPGLTLN-DDGRPDWHMDPASPDYAVRLGRLLARLHSITGEQAAAAGVEVRTPEQVRQSWRDDIAEVRSEFTVAPELAEAWQSWLADDTCWPDQTVMTHGEIYPAHVLLGEDGTLVGLLDWTTARVDDPARDLAAQYGAAGDEMLQTTVAAYAQAGGQVRPGLVAQTRRLWHAASIGYARYALTTRAEGDVAAAAAMLNPRSRRR 5IGJ Chain:A ((14-287)) --------ALAARHGLKL-HGPLTVNELGLDYRIVIATVDDGRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLP---FAVPDWRVANAELVAYPMLEDSTAMVIQPGSSTPDWVVPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREFVVNDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTERVSGMIDWSEARVDDPAIDMAAHLMVFGEEGLAKLLLTYEAAGGRVWPRLAHHIAERLAFGAVTYALFALDSGNE-----------------

General information: TITO was launched using: RESULT: Template: 5IGJ.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 : 1256 -80701 -64.25 -295.61 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -64.25 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_5IGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igj-query.scw PDB file : Tito_Scwrl_5IGJ.pdb: