Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MSLFI--------------QNDQQRQWMEKIGRIADEFQQ---TAAEDDEQGRFPAEKIQKLRDAGYTALTLPASHGGGGISVYDMLLFQERLARGDAPTALSIGWHLSVIGELGEGNSWDEDVFAFVAKEVQNGAVINRAATEAKTGSPTRGGRPGTHAVKKDGKWAVNGRKTFTTMSQALDYFLVTAWIED--------KQTTGVFLIHKDDPGLSIEETWDMMAMRATGSHDLVLNEVML-DENKLVELLQGPRGAKP--NGWLLHIPAIYLGVAQAARDYAVQFASEYSPNSLNGPIKNVPAVQQRTGEMELELLNARHFLFHIAQLYDDPVRRPHLTSELGAAKHIVTNAALSVVDKAMRIVGAKSLERTNPLQRYYRDVRAGLHNPPMDDAVIHKLAAEAFES------------------------------------------------------------------------------------------------------------------------------------------------------------ 2UXW Chain:A ((21-607)) QSMSFAVGMFKGQLTTDQVFPYPSVLNEEQTQFLKELVEPVSRFFEEVNDPAKNDALEMVEETTWQGLKELGAFGLQVPSELGGVGLCNTQYARLVEIVGMHDLGVGITLGAHQSIGFKGILLFGTKAQKEKYLPKLASGETVAAFCLTEPSSGSDAASIRTSAVPSPCGKYYTLNGSKLWISNGGLADIFTVFAKTPVTDPATGAVKEKITAFVVERGFGGITHGPPEKKMGIKASNTAEVFFDGVRVPSENVLGEVGSGFKVAMHILNNGRFGMAAALAGTMRGIIAKAVDHATN--RTQFGEKIHNFGLIQEKLARMVMLQYVTESMAYMVSANMDQ--GATDFQIEAAISKIFGSEAAWKVTDECIQIMGGMGFMKEPGVERVLRDLRIFRIFEGTNDILRLFVALQGCMDKGKELSGLGSALKNPFGSGLSLSGLVHPELSRSGELAVRALEQFATVVEAKLIKHKKGIVNEQFLLQRLADGAIDLYAMVVVLSRASRSLSEGHPTAQHEKMLCDTWCIEAAARIREGMAALQSDPWQQELYRNFKSISKALVERGGVVTSNPLGF

General information: TITO was launched using: RESULT: Template: 2UXW.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 : 2052 -156470 -76.25 -415.04 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -76.25 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_2UXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2UXW-query.scw PDB file : Tito_Scwrl_2UXW.pdb: