Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGDFTMTDIVTRTELEEAKVDCKDLGDALNTKKVINPRYGEAFYSLPLAVQKVMETGGFEPFLTQAQLLSSTPTISPKAAKALDTGKIWYWGKGEGETEDSWHDTGLSELDQAISFTAEKMSFEYAEKLFKWEDLNKIPVMYLDALARLWLANLPKDVATHIGEFIDMQKSVYTQNGKNLNALYDSTGLPVAWITSDGKTVLPKIGVLTDYIENKVASVNRQYVDSVNQSAFLTDSLAVQTMGEFQQQQTVITAADVNAAAVFPHNVTKLRIPAITRIQKNKYLCFFEARLNDD-DFGENSQGVCTLTVNESTFEITTSDIKALHAREVRPSGGFYTFMNACATKL-DSGRVICLYVKRYG----------------------------------------------------------------------------TSEHYIYKRYSDDDGLTWSDYENIGTQLNMTFYN-LLCP-CSQGLVKRYGSNNGRIIFPVWYSGKAYVASDFRAGYIYSDDGGTAWHDGAFAEI-------------------PYGNEVQCAEDLNGDLIFAIRLDQTVGGGTNDPTIQVKKLVKLLNGTLSTFIDIPA-PRLTNARVMSGLIQSKNAYDRSTPKLQFICANDLNRKNLKVWNS-------YDSGL-----NWTQ-YDVPNTEVFAAYSCIEKLSYEKNLLLWEADNYSSLKTSIVSLRNLIGVA 2VK5 Chain:A ((19-448)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSSNYRIPALFKTKEGTLIASIDARRHGGADAPN-NDIDTAVRRSEDGG-KTWDEGQIIMDYPD-----KSSVIDTTLIQDDETGRIFLLVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKDSNKTEYTTNALGDLFKNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKTWSEPQNINFQVK-KDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNE---KGKQSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQVVEMPNGQLKLFMRNLSG-----------YLNIATSFDGGATWDETVEKDTNVLEPYCQLSVINYSQK-VDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDWKYNKLVK--PGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES--

General information: TITO was launched using: RESULT: Template: 2VK5.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 : 1945 52253 26.87 164.84 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 26.87 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_2VK5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VK5-query.scw PDB file : Tito_Scwrl_2VK5.pdb: