Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQRNFLIWLLASLFYAYQYILRVIPNIIAPELITKFNISIADIGQFGGLYYIGYTFAHIPVGFALDRFGPKFVLPICVVLTFVGTLPLIYFDEWYYLTFSRIIVGVGSSASAIGIFKIASTYFSQKKSAKMASLSIIVGLLGAIYGGL-PLNFLFNKFGWDYVIYAFSTFGCLLALLLFFITPNNSTE--KNVSGNVFQDLKTVLFNKHIILISFFSGLMVGPLEGFADGWAKAFLCEVYQMTGDLASLLSSLIFIGMGAGSFFLAYFLERHPNRHYEAIIACSLAMIASFLLLFAQAGGLYVVLPTLLIIGFASGYQVIAIYKAISYVDNSLVGLTTAVSNMIIMVFGYFFHTGIAKIVDLCWDRTVIQGNPVYGSELLIKAISIIPICLLLAVFWFVWLKKRS |
3WDO Chain:A ((44-217)) | ---------------------------------------SEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGAIAAAV-MALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPI--ITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGLIVVAEIVLWNAQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVASTMKEPPYVSSLRIEIPADIAANE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WDO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111446 for 1104 contacts (-100.9/contact) +
2D Compatibility (PS) -17222 + (NN) 1619 + (LL) 4312
1D Compatibility (HY) -6400 + (ID) 2050
Total energy: -131187.0 ( -118.83 by residue)
QMean score : -0.043
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