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 1NRX Chain:A ((40-378)) ------------------------------------VLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREVTPGHRFEGTEEILKARILASARHKAYVVSAD---GGLRNLLNWGHSIGHAIEAIL-TPQILHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALD-----PKKKIVLLSAIGTPYETR-----------------

General information: TITO was launched using: RESULT: Template: 1NRX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1470 -40275 -27.40 -135.15 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -27.40 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_1NRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NRX-query.scw PDB file : Tito_Scwrl_1NRX.pdb: