Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLHVQTASSSYPVFIGQGIRKKACELLTSLNRPLTRIMFVTDEEVDRLYGDEMLHLLQEKW----PVKKVTV---PSGEQAKSMDMYTKLQSEAIRFH--MDRSSCIIAFGGGVVGDLAGFVAATFMRGIDFIQMPTTLLAH-DSAVGGKVAVNHPLGKNLIGAFYQPKAVLYDTDFLRSLPEKELRSGMAEVIKHAFIYDR---AFLEELLNIHSL-----RDITNDQ---------LNDMIFKGISIKASVVQQDEKEEGIRAYLNFGHTLGHAVEAEYGYGQITHGDAVALGM----QFALYIS-EKTVGCEMDRKRLVSWLKSLGYPSQIR----------KETETSVLLNRMMNDKKTRGGKIQFIVLNELGKVADHTFSRNELESWLNKWRLEETS 1NR5 Chain:B ((37-372)) ------------------------------------TTYVLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEE--NAETILKAVRREVTPGEHRFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAIL-TPQILHGECVAIGMVKEAELARHLGILKGVAV----SRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALDKKNDGPKKKIVLLSAIG-------------------------

General information: TITO was launched using: RESULT: Template: 1NR5.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 : 1446 -12067 -8.34 -41.04 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -8.34 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_1NR5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NR5-query.scw PDB file : Tito_Scwrl_1NR5.pdb: