Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSLRLNHYWITCADGLETLLQEEIEQLGTKVTERKAGRLIIEGTLEHAYRICMWSRLASRVLLPIHTYELERTHDARDVAEELYEGAISFDWSLIFAPQSTFAIRLHAEREIKVNTQFATLRVKDGVVDSFMEAVGRRPSIDTKQPEITLYVLAGKTEHTYCLDLSGDSLHKRGYRRFMTDAPIKENLAAAILQKAKLQERNPEIVLDPMCGSGTFIIEALMILTDRAPGLVRRFGFNGWHGHDRELWLSLKAEAAERHEKALEQPLPKFYAYDADWEAVKATRENIIAAGFEKLLGDIQIEERTLADWPDFGAENKTAFIVTNPPYGERLGDKASNRSLYLGLSALLQKNFPNQYAAIIAAQIEQADVLAFEAPETLRLMNGKLPIYVRFGTVKLEKVTQPFLANWQAQPVEMEEAQDFANRLQKNMTALKKWATKENIYCLRLYDADLPDFN-LAVDLYSDRLHVQEYAPPKKIDPEKAKKRFNLALAAIRAVTGLNRDAIFIKTRARQTGTNQYTKQSTANKRFIVQEGKAKILVNLTDYLDTGLFLDHRQMRLRIAQE-ARGKHFLNLYSYTSTASLHAALGGAASTTSVDLSNTYLSWSKENFVLNGLTVDHADEQHMFFASDCFEWLKEGHEQYDLIFIDPPTFSNSKKFHGTFDVQRDHVSLIKRAMNRLTSEGTLYFSNNYRGFEMDEEIEALYDV------EEITSETIGPDFKRNQKIHR-----AWKIQHPGLN 3LDF Chain:A ((1-385)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MIKLMVGSFAEKKLKRGVQLLSSRDYPNLN----LDNQVVQLYSDADI-FLGTAYLSKQNKGVGWLISPKKVSLN---VTYFIKLFQWSKDKRKNFAHSKLTTAYRLFNQDGDSFGGVTIDCYGDFVLFSWYN-------SFVYQIRDEIVAAFRQVYP-NFLGAYEKIR---FNVSAHLYGQEAPEQFLILENGISYNVFLNDGLMTGIFLDQRQVRNELINGSAAGKTVLNLFSYTAAFSVAAAMGGAMATTSVDLAKRSRALSLAHFEANHLDMANHQLVVMD-VFDYFKYARRHHLTYDIIIIDPPSFARNKE---VFSVSKDYHKLIRQGLEILSENGLIIASTNAANMTVSQFKKQIEKGFGKQKHTYLDLQQLPSDFAVNVQDESSNYLKVFTIKV----

General information: TITO was launched using: RESULT: Template: 3LDF.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 : 1948 -63561 -32.63 -173.19 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -32.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_3LDF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LDF-query.scw PDB file : Tito_Scwrl_3LDF.pdb: