Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKN----LVERLET----------------KDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYE-----------RLFLDKKSENQTLKFILPKGVGA-FEI-ASHIPKETILKVLEKWH |
1NVE Chain:B ((104-391)) | -----------------------------------------------------------------------------------GRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREVTPGEHRFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAILT-PQILHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMAL--------KKIVLLSAIGTPYETRASVVANEDIRVVLAP-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NVE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158356 for 1965 contacts (-80.6/contact) +
2D Compatibility (PS) -25761 + (NN) -2833 + (LL) 8260
1D Compatibility (HY) -20400 + (ID) 5400
Total energy: -204490.0 ( -104.07 by residue)
QMean score : 0.495
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