Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPIIAGNWKMNKTASEAKEFAEAVKN-KIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK 2YPI Chain:B ((2-245)) -RTFFVGGNFKLNGSKQSIKEIVERLNTASIPEN--VEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEV--KDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPE-FVDIINS--

General information: TITO was launched using: RESULT: Template: 2YPI.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 : 1345 4341 3.23 17.86 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : 3.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2YPI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YPI-query.scw PDB file : Tito_Scwrl_2YPI.pdb: