Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MLAELFAVMAPVLFGAGVGYV---WVR----------------LGHAYPTEFVSRIVFNIGSPCLI----LATLAHT------RVDLHSFGRMALASALICVCMA------ALGWAAARL---------GRQEWQV-LVPAYSFPNVGN--MGLPVCLYAFGEAGMTLAVAFYLIMS----------IGNFSLGVFWMSGERSWRSLLGNPILLSVLLALLLMGLDLQ-----LPRWMANTVDLMAGLTIPLMLITLGVSLASIRPRQLGNGFFYGGLRLLLGAL----------------VGWSVALALQL-----PPLAQGVLVVQSSMPVAVFNYLYALRGNRSPDQVASLVL-CSTLLSFAFIPLLLTWWLPALR----------------------- |
3WFS Chain:C ((23-388)) | LNFYLSYFDDVAKVLPREHYCFIVGGWVRDRILGEPVGYNIDVDFLTTADPVELAKNFAKRIGGHFFVFEPTIASVVLHLPPYRYRFDFSPLKGKDLEKALIEDLKERDFTANAIAVNLDDVLTIVYDPTGGIKDLEQGLLRPVSIENLKRDPVRVLRGFRIAIEKNLQLTEDFYEFVKEDPRIVLKSAVERITHELFKIMKEKTAHKVIRELYEYGVLEAIIPEIGRLREVKDPLDEHTLKTLEYLEQVIEDRAKYLSAELLENFGKKRV-LGEFTDVELLKWGALFHDIGKPQTTFYEHDKVGAQIVREIGERLRWGDEATEFVAKLVRHHLRPFFLREAFKKGELKRRGMANFWRECGDIAPHLFLLSIADAMASGDEEEDIKALMETIAELESFNRNEMK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WFS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101369 for 1555 contacts (-65.2/contact) +
2D Compatibility (PS) -24330 + (NN) 9260 + (LL) -172
1D Compatibility (HY) 17200 + (ID) 800
Total energy: -100211.0 ( -64.44 by residue)
QMean score : -0.099
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