Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMQTLHVELGERRYPIFIGSQLDPKQLLEPYIHGQQVMIVSNVTVAPLYLSHYQEALESLGKTVATCIL------PDGEKYKDIQHLNLIFDALLEAG--FNRDCTVLALGGGVIGDMAGFASACFQRGVYFVQVPTTLLSQVDSSVGGKTGINHPLGKNMLGAFQQPQVVLADMAQLNTLPERELSAGLAEVIKYALLGDEDFLVWLEENMDGL---VARDA-----------DLLAEAVYRSCAHKARIVANDEKEQGERALLNLGHTFGHAIESYLGYGTWLHGEAVATGMVMAADLSQRLGWISNEDVARTKKIIQRANLPISC-----------PQIPLDDFLGHMAHDKKVLNGQLRLVLLKQLGQAVITKDFDVELMKQAILANQHG
1NRX Chain:B ((40-378))------------------------------------VLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREVTPGEHRFEGTEEILKARILASARHKAYVVSAD---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 B - contact count / total energy / energy per contact / energy per residue : 1444 -16425 -11.37 -55.12
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain B : 0.75

3D Compatibility (PKB) : -11.37
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.444

(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: