Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKISTYENKKVLVLGLAKSGVSAAKLLHELGALVTVNDGK----PFDENPEAQELLSLGIKVITGSHPIELLDEEF---SLMVKNPGIPYSHPLVAKAQEMGIPVITEVELAYEVAECPIIGITGTNGKTTTTTMTGLLLNA-GADQGIARLAGNIGYPASGVAQEAKSEDKIVMELSSFQLMGITDFRPHIAVITNIYEAHID-YHGTRKEYVKAKWNLQKNMTEKDYLILNWNQSELQELAQRTKARVLPFSTKEVLEDGVYADDYSIYY---------KKEKIMEISELGVPGKHNVENALAAISVAKLYGISNEAIRETLHFFHGVPHRTQYVGEIQGRKFYNDSKATNILATKMALSGFETSKVV-LLAGGLDRGNTFDELIPSLKGIKA-MVVFGQTKEKLMDAGKKAGIETIVTADSVEQAVPLALENSTDGDVVLLSPANASWDQYPNFETRGNRFMEAVNRLK 5A5F Chain:A ((3-429)) ------YQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVE-----------RHTGSLNDEWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVTTLVGEMAKAAGVNVGVG---GNIGLPALMLLDD--ECELYVLELSSFQLETTSSLQAVAATILNVTEDHMDRYPFGLQQYRAAKLRIYEN---AKVCVVNADDA-LTMPIR-----CVSF--------GVNMGDYHLNHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGLPHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYLNGDNVRLYCFGRDGAQLAALRPEVAEQT----ETMEQAMRLLAPRVQPGDMVLLSPACASLDQFKNFEQRGNEF--------

General information: TITO was launched using: RESULT: Template: 5A5F.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 : 2378 -8789 -3.70 -21.86 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -3.70 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_5A5F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A5F-query.scw PDB file : Tito_Scwrl_5A5F.pdb: