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 |
| 3TIF Chain:B ((25-223)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRR--DKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLL-KKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84310 for 1400 contacts (-60.2/contact) +
2D Compatibility (PS) -19973 + (NN) -8997 + (LL) 20740
1D Compatibility (HY) -13600 + (ID) 3200
Total energy: -109340.0 ( -78.10 by residue)
QMean score : 0.441
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