Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKVSDLRLKYPNGQRKIFDHLNITIQDKEKVLLLGPSGCGKSTLLNVLSGIVPNLIELPMKYDELIVDPLSGVIFQDPDSQFCMPKVYEELAFVLENRQVPREDMDALIINALNMVNLNVTPETYIKDLSGGMKQKLAIVETILQQSKTLFLDEPTAMLDVQATEDLWTKLIELWEDQTVVIVEHKVKHIWNHVDRVILMDYNGNIIADECPEIILQKYVHLLSEYGVWHPRAWEFAPSRVDFPTTNSHLLQFKNGRIIRGKSTLLSFSDLEIGLGEWITITGANGSGKTTLLESIMQLIK-YQGDVYFEN--------QRLTKIKHAAKHMYLVYQN----PELQFITNSVYDEINIHFNHLSKDQSDDETIQLLKLLDLQNVKDQH-PYELSIGQKRRLSVATALSSKADIIFLDEPTFGLDSHNTFQLIKLFQKRINL--GQSIVMVTHDDEIIERYPSRRLKISDGALLDCDGDTNV |
1L2T Chain:B ((25-221)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRR--DKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTGALDSKTGEKIMQLL-KKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDG----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1L2T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80906 for 1394 contacts (-58.0/contact) +
2D Compatibility (PS) -19772 + (NN) -9075 + (LL) 21060
1D Compatibility (HY) -12400 + (ID) 3200
Total energy: -104293.0 ( -74.82 by residue)
QMean score : 0.459
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