Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRTLHVDLGERSYPIYIGENLLGDARWFAPHIVGRRVAVISNETVAPLYLETLLKALQGH--EVTP------VVLPDGEAYKQWETLQLIFDVLLKERHD--RKTTLIALGGGVIGDMAGFAAACYQRGVNFIQVPTTLLSQVDSSVGGKTGINHPLGKNMIGAFYQPQAVVIDTASLKTLPSRELSAGLAEVIKYGFICDEPFITWLEAHMDALLALEPTVVTEAIER--------------SCAAKARVVGADERESGVRATLNLGHTFGHAIETQQGYGVWLHGEAVGAGTVMALEMSHRLGWLSAAERDRGIRLLRRAGLP----------VVPPAEMTAEDFMEHMAVDKKVLDGRLRLVLLQGLGNAVVTGDFPREILDATLRTDYRALADQLGDE |
1NVD Chain:A ((25-373)) | ---------------YVAKDLISDCS-------STTYVLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREV-----RFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAILTPQI-LHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALDKKNDGPKKKIVLLSAIGT------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NVD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153787 for 2525 contacts (-60.9/contact) +
2D Compatibility (PS) -33766 + (NN) -15856 + (LL) 4540
1D Compatibility (HY) -23600 + (ID) 6500
Total energy: -228969.0 ( -90.68 by residue)
QMean score : 0.438
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