Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFSMQTIPVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQPK----K--RK-K--------------------QGIKKTLSV-LFKNKPLLMLISSFLAFAIGFNIK-----LSTMVYYFTYNVNHKE-FVFMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITAALSLIS-YAGL-HFT-P-YS--SIPLIFIWLF-ASGFFTT-PLNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 4YB9 Chain:D ((69-436)) ------------------------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNN----LGRKGTLL-FNNIFSIVPALLMGFSEL---AKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPK-NWRGALGVVPQLFITIGILVAQIFGLRSL--LA---NEEGWPILLGLTGIPAVLQLL-FLPFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFIS-VLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIYL-SAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPY-VSIACVISYVIGHALGPSPIPALLVTEIFLQ-------SSRPAAYMVAGTVHWLSNFTVGLVFPFIQVG-----------------------------------------------------------

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 : 1315 -206971 -157.39 -648.81 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.62 3D Compatibility (PKB) : -157.39 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.257

(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: