Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKVSDLRLKYPNGQRKIFDHLNITIQDKEKVLLLGPSGCGKSTLLNVLSGIVPNLIELPMKYDELIVD----------PLSGVIFQDPDSQFCM-PKVYEELAFVLENRQVPREDMDALIINALNMVNLNVTPETYIKDLSGGMKQKLAIVETILQQSKTLFLDEPTAMLDVQATEDLWTKLIELWE--DQTVVIVEHKVKHIWNHVDRVILMDYNGNIIADECPEIILQKYVHLLSEYGVWHPRAWEFAPSRVDFPTTNSHLLQFKNGRIIRGKSTLLSFSDLEIGLGEWITITGANGSGKTTLLESIMQLIKYQGDVYFENQRLTKIKHAAKHMYLVYQNPELQFITNSVYDEINIHFNHLSKDQSDDETIQLLKLLDLQNVKDQHPYELSIGQKRRLSVATALSSKADIIFLDEPTFGLDSHNTFQLIKLFQKRINLGQSIVMVTHDDEIIERYPSRRLKISDGALLDCDGDTNV |
2IT1 Chain:A ((3-223)) | EIKLENIVKKFGN--FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKP-----TSGKIYFDEKDVTELPPKDRNVGLVFQNW--ALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGE-ILQVGTPDEVYY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142110 for 1667 contacts (-85.2/contact) +
2D Compatibility (PS) -22449 + (NN) -10346 + (LL) 16988
1D Compatibility (HY) -9600 + (ID) 3050
Total energy: -170567.0 ( -102.32 by residue)
QMean score : 0.460
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