Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLKVSDLRLKYPNGQRKIFDHLNITIQDKEKVLLLGPSGCGKSTLLNVLSGIVPNLIELPMKYDELIVDPLSGVIFQDPDSQFCMPKVYEELAFVLENRQVPREDMDALIINALNMVNLNVTPETYIKDLSGGMKQKLAIVETILQQSKTLFLDEPTAMLDVQATEDLWTKLIELWEDQTVVIVEHKVKHIWNHVDRVILMDYNGNIIADECPEIILQKYVHLLSEYGVWHPRAWEFAPSRVDFPTTNSHLLQFKNGRIIRGKSTLLSFSDLEIGLGEWITITGANGSGKTTLLESIMQLIK-YQGDVYFENQRLTKIKHAAKHMYLVYQNPELQFITNSVYDEINIHFNHLSKDQSDDETIQLLKL------LDLQNVKDQHPYELSIGQKRRLSVATALSSKADIIFLDEPTFGLDSHNTFQLIKLFQKRINLGQSIVMVTHDDEIIERYPSRRLKISDGALLDCDGDTNV |
| 4HLU Chain:A ((30-216)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGER-KKGYEIRRNIGIAFQYPEDQFFAERVFDEVAFAVKNFYPDR---DPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKG----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HLU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84540 for 1354 contacts (-62.4/contact) +
2D Compatibility (PS) -19745 + (NN) -8555 + (LL) 20468
1D Compatibility (HY) -16000 + (ID) 3000
Total energy: -111372.0 ( -82.25 by residue)
QMean score : 0.564
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