Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MSLHGKRKEIYKYEAPWTVYAMNWSVRPDKRFRLALGSFVEEYNNKVQLVGLDEESSEFICRNTFDHPYPTTKLMWIPDTKGVYPDLLATSGD-YLRVWRVGETETRLECLLNNNKNSDFCAPLTSFDWNEVDPYLLGTSSIDTTCTIWGLETGQVLGRVNLVSGHVKTQLIAHDKEVYDIAFSRAGGGRDMFASVGADGSVRMFDLRHLEHSTIIYEDPQHHPLLRLCWNKQDPNYLATMAMDGMEVVILDVRVPCTPVARLNNHRACVNGIAWAPHSSCHICTAADDHQALIWDIQQMPRAIEDPILAYTAEGEINNVQWASTQPD----WIAICYNNCLEILRV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3MKQ Chain:A ((2-812)) KLDIKKTFSNRSDRVKGIDFHPTE--------PWVLTTLY--------------------SGRVEIWNYETQVEVRSIQV---TETPVRAGKFIARK----NWIIVGSDDFRIRVFNYNTGEKVVDFEAHPDY-------IRSIAVHPTKPYVLSGSD-DLTVKLWNWENNW----------ALEQTFEGHEHFVMCVAFNPK--DPSTFASGCLDRTVKVWSLGQSTPNFTLTTGQERGVNYVDYYPLPDKPYMITASDDL--TIKIWDYQTKSCVATLEGHMSNVSFAVFHPTLP-IIISGSEDGTLKIWNSSTYK-------VEKTLNVGLERSWCIATHPTGRKNYIASGFDNGFTVLSLGNDEPTLSLDPVGKLVWSGGKNAAASDIFTAVIRGNEEVEQDEPLSLQTKELGSVDVFPQSLAHSPNGRFVTVVGDGEYVIYTALAWRNKAFGKCQDFVWGPDSNSYALIDETGQIKYYKNFKEVTSWSVPMHSAIDRLFSGALLGVKSDGFVYFFDWDNGTLVRRIDVNAKDVIWSDNGELVMIVNTNSNGDEASGYTLLFNKDAYLEAANNGNIDDSEGVDEAFDVLYELSESITSGKWVGDVFIFTTATNRLNYFVGGKTYNLAHYTKEMYLLGYLARDNKVYLADREVHVYGYEISLEVLEFQTLTLRGEIEEAIENVLPNVEGKDSLTKIARFLEGQEYYEEALNISPDQDQKFELALKVGQLTLARDLLTDESAEMKWRALGDASLQRFNFKLAIEAFTNAHDLESLFLLHSSFNNKEGLVTLAKDAETTGKFNLAFNAYWIAGDIQGAKDLLIKSQRFSEAAFLGSTYGLGDNEVNDIVTKWKENLILNGKNTVSERVCGAEGLP

General information: TITO was launched using: RESULT: Template: 3MKQ.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 : 1621 38497 23.75 138.98 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 23.75 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3MKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MKQ-query.scw PDB file : Tito_Scwrl_3MKQ.pdb: