Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSLRLNHYWITCADGLETLLQEEIEQLGTKVTERKAGRLIIEGTLEHAYRICMWSRLASRVLLPIHTYELERTHDARDVAEELYEGAISFDWSLIFAPQSTFAIRLHAE-REIKVNTQFATLRVKDGVVDSFMEAVGRRPS--IDTKQPEITLYVLAGKTEHTYCLDLSGDSLHKRGYRRFMTDAPIKENLAAAILQKAKLQERNPEIVLDPMCGSGTFIIEALMILTDRAPGLVRRFGFNGWHGHDRELWLSLKAEAAERHEKALEQPLPKFYAYDADWEAVKATRENIIAAGFEKLLGDIQIEERTLADWPDFGAENKTAFIVTNPPYGERLGDKASNRSLYLGLSALLQKNFPNQYAAIIAAQIEQADVLAFEAPETLRLMNGKLPIYVRFGTVKLEKVTQPFLANWQAQPVEMEEAQDFANRLQKNMTALKKWATKENIYCLRLYDADLPDFNLAVDLYSDRLHVQEYAPPKKIDPEKAKKRFNLALAAIRAVTGLNRDAIFIKTRARQTGTNQYTKQSTANKRFIVQEGKAKILVNLTDYLDTGLFLDHRQMRLRIAQEARGKHFLNLYSYTSTASLHAALGGAASTTSVDLSNTYLSWSKENFVLNGLTVDHADEQHMFFASDCFEWLKEGHEQYDLIFIDPPTFSNSKKFHGTFDVQRDHVSLIKRAMNRLTSEGTLYFSNNYRGFEMDEEIEALYDVEEITSETIGPDFKRNQKIHRAWKIQHPGLN 3LDG Chain:A ((2-380)) ----KKTFNLVATAAAGIEAVVGKELRNLGLD-CQVENGRVLFKGNIETIAKSNLWLRSADRIKIVVGEFPA------R-TFEELFQGVYALDWENYLPLGCQFPVAKAKSVKSKLHNEPSIQGITKKAIVKKLQHYFHRPDSVPLPENGPEFKIEISLLKDQARVMIDTTGPSLFKRGYRTE---APIKENMAAAIILLSNWFP--DKPFVDPTCGSGTFCIEAAMIGMNIAPGFNRDFAFEEWPWVDEALVTRVRNEADEQADYDIQ---LDISGFDFDGRMVEIARKNAREVGLEDV---VKLKQMRLQDFKT---NKINGVLISNPPYGERLLDDKAVDILYNEMGETFAPL-KTWSQFILTNDTDFEQKFGRKADKKRKLYNGSLKVDLYQFYGQRVK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LDG.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 : 2068 -48873 -23.63 -131.03 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -23.63 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3LDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LDG-query.scw PDB file : Tito_Scwrl_3LDG.pdb: