Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLHVELGERRYPIFIGSQLDPKQLLEPYIHGQQVMIVSNVTVAPLYLSHYQEALESLGKTVATCIL------PDGEKYKDIQHLNLIFDALLEAG--FNRDCTVLALGGGVIGDMAGFASACFQRGVYFVQVPTTLLSQVDSSVGGKTGINHPLGKNMLGAFQQPQVVLADMAQLNTLPERELSAGLAEVIKYALLGDEDFLVWLEENMDGL---VARDA-----------DLLAEAVYRSCAHKARIVANDEKEQGERALLNLGHTFGHAIESYLGYGTWLHGEAVATGMVMAADLSQRLGWISNEDVARTKKIIQRANLPISC-----------PQIPLDDFLGHMAHDKKVLNGQLRLVLLKQLGQAVITKDFDVELMKQAILANQHG 1NR5 Chain:B ((40-378)) ------------------------------------VLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREVTPGEHRFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAIL-TPQILHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALDKKNDGPKKKIVLLSAIGTPYETR-----------------

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 : 1481 -21591 -14.58 -70.56 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -14.58 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.428

(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: