Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSLVEIDGATLRYGALTALSGLDLRLEPGEVLGLLGHNGAGKTTTIKLVLGLLAPSEGRVRVLGHDARSL----EARRQLGYLPENVTFYPQLSGAETLRHFARLKGVAPAE-----AARLLEQVGLGHAARRRLKTYSKGMRQRLGLAQALLGEPRLLLLDEPTVGLDPLATVELYQLLDRLRGQGTGIVLCSHVLPGVETHIDRAAILAGGRLQVAGSLAELRRKAALPTRVRLASPHNPQWLERWHRAGLAARRLDDQRIEVLLDDAERDGVLEALLAAREFDLEILPPSLEDLYRHHMSPAPAGATPCP |
| 4P31 Chain:A ((12-223)) | ------------YKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEI----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4P31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9813 for 1489 contacts (-6.6/contact) +
2D Compatibility (PS) -19520 + (NN) 11281 + (LL) 8012
1D Compatibility (HY) 5200 + (ID) 1500
Total energy: -6340.0 ( -4.26 by residue)
QMean score : 0.037
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