Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MKQRIIDELKRIEQSYGVKIVYAVESGSRAWGFPSQD-------------SDYDVRFIYVP------KKEWYFSIEQERDVIEEPIHDLLDISGWELRKTLRLFKKSNPPLLEWLSSDIVYYEAFTTAEQLRKLRTE-AFKPEASVYHYINMARRNVKDYLQ-----GQEVKIKKYFYVLRPIL----ACQWIEKHGTIPPMDFTVLMNELVAEPELKAEMETLLERKRRGEELDLEARIDVIH----------------------------------QFIETEIERIMEAAKELKAEKKDMTSELNRLLLNTVEEVWKDGGS----- 2O4U Chain:X ((2-332)) ALRWGIVSVGLISSDFTAVLQTLPRSEHQVVAVAARDLSRAKEFAQKHDIPKAYGSYEELAKDPNVEVAYVGTQHPQHKAAVMLCLAAGKAVLCEKP---MGVNAAEVREMVTEARSRGLFLMEAI-----WTRFFPASEALRSVLAQGTLGDLRVARAEFGKNLTHVPRAVDWAQAGGALLDLGIYCVQFISMVFGGQKPEKISVMGRRHETGVDDTVTVLLQYPGEVHGSFTCSITAQLSNTASVSGTKGMAQLLNPCWCPTELVVKGEHKEFLLPPVPKNCNFDNGAGMSYEAKHVRECLRKGLKESPVIPLVESELLADILEEVRRAIGVTFPQD

General information: TITO was launched using: RESULT: Template: 2O4U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1251 -97843 -78.21 -388.26 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain X : 0.63 3D Compatibility (PKB) : -78.21 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_2O4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O4U-query.scw PDB file : Tito_Scwrl_2O4U.pdb: