Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPAN-----QQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY 1SQ5 Chain:D ((4-308)) ------YLQFDRNQWAALRD---MTLSEDEIARLKGINEDLSLEEVAEIYLPLSRLLNFYISSNLRRQAVLEQFLGTNGQRIPYIISIAGSVAVGKSTTARVLQALLSRWPEHRRVELITTDGFLHPNQVLKERGLMKKKGFPESYDMHRLVKFVSDLKSGVPNVTAPVYSHLIYDVIPDGDKTVV-PDILILEGLNVLQSGMDYPHDPHHVFVSDFVDFSIYVDAPEDLLQTWYINRFLKFREGAFTDPDSYFHNYAKLTKEEAIKTAMTLWKEINWLNLKQNILPTRERASLILTKSANHAVEEVRLRK-

General information: TITO was launched using: RESULT: Template: 1SQ5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1388 -100703 -72.55 -340.21 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -72.55 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_1SQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQ5-query.scw PDB file : Tito_Scwrl_1SQ5.pdb: