Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSELKTSGHPLTLLCSFLYFDVSFMIWVMLGALGVYISQDFGLSPFEKGLVVAVPILSGSVFRIILGILTDRIGPKKTAVIGMLVTMIPLLWGTFG--GRSLTELYAIGILLGVAGAS-FAVALPMASRWYPPHLQGLAMGIAG-AGNSGTLFATLFGP--RLAEQFGWHIVMGIALIPLLIVFILFVSMAKDSPAQPS-----PQP-------------------------LKSYLHVFGQKETWFFCLLYSVTFGG-----FVGLSSFLSIFFVDQYQLSKIHAGDFVTLCVAAGSFFRPVGGLISDRVGGTKVLSVLFVIVALCMAGVSS--L-P--S---LSMVIVLLFVGMMGLGMGN-GAVFQLVPQRFRK-EIGMVTGIVGAAGGIGGFFLPNILGSLKQMTGTYAIGFITFSCIALLAFALVLAAGYYWRKSWSAESSPADV 4YB9 Chain:D ((69-453)) -----------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLANEEGWPILLGLTGIPAVLQLLFL-PFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIY-LSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPFIQVGLG-A-YSFVIFAVICLLTT-----------------------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1424 -247744 -173.98 -757.63 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -173.98 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: