Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEKNFWPLGIMSVLIFGLGIVVFLVVFALKNSPKNDLVYFKGHNEVDLNFNAML-KTYENFKSNYRFSVGLKPLTESPKTPILPYFSKGTHGDKKIQENLLNNALILEKSNTLYAQLQPLKPALDSPNIQVYLAFYPSQSQPRLLGTLDCKNACEPLKFDLLEGDKVGRYKILFKFVFKNKEELILEQLAFFK |
2X42 Chain:A ((375-440)) | ---------------------------------PRYAISILEGIKERGLNFDEELAKTYEDYIKKMRETEEYKPRR-----IIKPKLPENFLSEKEIHKLAKKNDVAVIVISRISGEGYDRKPVKGDFYLSDDETDLIKTVSREFHEQGKKVIVLLNIGSPVEVVSWRDLVDGILLVWQAGQETGRIVADVLTG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2X42.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1117 for 268 contacts (-4.2/contact) +
2D Compatibility (PS) -6261 + (NN) -3195 + (LL) 3172
1D Compatibility (HY) -2000 + (ID) 900
Total energy: -10301.0 ( -38.44 by residue)
QMean score : 0.170
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