Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGDFTMTDIVTRTELEEAKVDCKDLGDALNTKKVINPRYGEAFYSLPLAVQKVMETGGFEPFLTQAQLLSSTPTISPKAAKALDTGKIWYWGKGEGETEDSWHDTGLSELDQAISFTAEKMSFEYAEKLFKWEDLNKIPVMYLDALARLWLANLPKDVATHIGEFIDMQKSVYTQNGKNLNALYDSTGLPVAWITSDGKTVLPKIGVLTDYIENKVASVNRQYVDSVNQSAFLTDSLAVQTMGEFQQQQTVITAADVNAAAVFPHNVTKLRIPAITRIQKNKYLCFFEARLND-DDFGENSQGVCTLTVNESTFEITTSDIKALHAREVRPSGGFYTFMNACATKL-DSGRVICLYVKRYG----------------------------------------------------------------------------TSEHYIYKRYSDDDGLTWSDYENIGTQLNMTFYNLLC-PCSQGLVKRYGSNNGRIIFPVWYSGKAYVASDFRAGYIYSDDGGTAWHDGAFAEI-------------------PYGNEVQCAEDLNGDLIFAIRLDQTVGGGTNDPTIQVKKLVKLLNGTLSTFIDIPA-PRLTNARVMSGLIQSKNAYDRSTPKLQFICANDLNRKNLKVWNS-------YDSGL-----NWTQ-YDVPNTEVFAAYSCIEKLSYEKNLLLWEADNYSSLKTSIVSLRNLIGVA 2BF6 Chain:A ((19-448)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSSNYRIPALFKTKEGTLIASIDARRHGGADAPN-NDIDTAVRRSEDGG-KTWDEGQIIMDYPD-----KSSVIDTTLIQDDETGRIFLLVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKDSNKTEYTTNALGDLFKNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKTWSEPQNINFQVKKDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNE---KGKQSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQVVEMPNGQLKLFMRNLSG-----------YLNIATSFDGGATWDETVEKDTNVLEPYCQLSVINYSQK-VDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDWKYNKLVK--PGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES--

General information: TITO was launched using: RESULT: Template: 2BF6.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 : 1962 68172 34.75 214.38 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 34.75 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_2BF6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BF6-query.scw PDB file : Tito_Scwrl_2BF6.pdb: