Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVVGIDLGFLNCYIAVARSGGIETIANEYSDRCTPACISLGSRTRAIGNAAKSQIVTNVRNTIHGFKKLHGRSFDDPIVQTERIRLPYELQKMPNGSAGVKVRYLEEERPFAIEQVTGMLLAKLKETSENALKKPVADCVISIPSFFTDAERRSVMAAAQVAGLNCLRLMNETTAVALAYGIYKQDLPPLDEKPRNVVFIDMGHSAYQVLVCAFNKGKLKVLATTFDPYLGGRNFDEALVDYFCDEFKTKYKINVKENSRALLRLYQECEKLKKLMSANASDLPLNIECFMNDLDVSSKMNRAQFEQLCASLLARVEPPLKAVMEQANLQREDISSIEIVGGATRIPAVKEQITKFFLK-DISTTLNADEAVARGCALQCAILSPAFK-VREFSITDLVPYSITLRWKTSFEDGSGECEVFCKNHPAPFSKVITFHK--KEPFELEAFYTNLHEVPYPDARIGSFTIQNVFPQSDGDSSKVKVKVRVNIHGIFSVASASVIEKQNLEGDHSDAPMETETSFKNENKDNMDKMQVDQEEGHQKCHAEHTPEEEIDHTGAKTKSAVSDKQDRLNQTLKKGKVKSIDLPIQSSLCRQLGQDLLNSYIENEGKMIMQDKLEKERNDAKNAVEEYVYDFRDRLGTVYEKFITPEDLSKLSAVLEDTENWLYEDGEDQPKQVYVDKLQELKKYGQPIQMKYMEHEERPKALNDLGKKIQLVMKVIEAYRNKDERYDHLDPTEMEKVEKCISDAMSWLNSKMNAQNKLSLTQDPVVKVSEIVAKSKELDNFCNPIIYKPKPKAEVPEDKPKANSEHNGPMDGQSGTETKSDSTKDSSQHTKSSGEMEVD 5TKY Chain:B ((14-619)) DGAIGIDLGTTYSCVAVYEGTNVEIIANEQGNFTTPSFVSFTENCRLIGEAAKNQAAMNPANTIFDVKRLIGRRFDDPTVKKDMESWPFKVVDD-NGNPKVEVQYLGQTHTFSPQEISAMVLTKMKEIAETKLGKKVEKAVITVPAYFNDNQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGSGKS----DKERNVLIYDLGGGAFDVSLLNIQGGVFTVKATAGDTHLGGQDFDTNLLEYCKKEFTRKTKKDLSGDARALRRLRTACERAKRTLSSGA-QTTIEIDSLFDGEDFNIQITRARFEDLNAKAFAGTLEPVAQVLKDAGIEKHQVDEIVLVGGSTRIPRIQKLLSEFFDGKKLEKSINPDEAVAYGAAVQAGILSGK--DTSDLLLLDVVPLSLGVAMEG--N---IFAPVVPRGQTVPTIKKRTFTTVA--TVQFPVYQGERV-NCEDNTLLGEFTLAPIPPMK-AGEPVLEVVFEVDVNGILKVTATEKTS----------------------------------------GR-------------------------------------SANITIAN-SVGKLSTDEIEKMISDAEKFKSKCEAFSKRFEAKQQLESYISRVEEIIS---------GQKDKIEQALSEAMAQLEIEDST--ADELKKKELALKRLVTKAMA-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5TKY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3247 -219322 -67.55 -375.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -67.55 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_5TKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TKY-query.scw PDB file : Tito_Scwrl_5TKY.pdb: