Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQLHAMWDEYPALSKDLQEVLQTIEKNIQIRDKHVEQNVKDLIHAGGKLLRPAFALLSAQAGPDYDKDRAVSIAAALEVLHMATLIHDDVVDDSPLRRGIPTIHSKYGRNYAVYTGDYLFCICFKILSAHASSVENIEFNSKNIEKILMGELDQMRTSYKMNVTVREYLTRISGKTAQLFALSCYSGATGSKATRMTVAKCYNIGHYLGMAFQIIDDVLDYTSTDEGLGKPVLNDMKQGIYSLPLIYAMKGHLAEFEPLLSQKLDMTDEASEQVLALISKYKGVEQAFKLAKKYTNKALREIKKLPAGAYREDMYRLTKNILDRDI |
| 3PKO Chain:B ((14-333)) | -----LWRQFPQVEPQLTALQDYLLRTVQLDNQPIHHKILALLKSGGKLLRPGYFYLFSTFGNAATPAQLQAGAAAIEILHVGTLIHDDVI--------------TYGQRNAIYAGDFMFTVYFDQVLKSTTDRSLIQNHIDAMHRILQGELHQMDLNYREDITLDAYLNEIAGKTAELFALSCYQGAQLAGAPQSVIDRTRDIGIAIGCAYQMLDDILDYAGDPKRTQKPVLEDLRSGVYSLPLLLSLSHAPRDFHKLLKKKQAMTLEDIKHVQALVAQYDGVGAAKQLAQDYTDRALTLIQQLPVGSAQQSLEQLTRLLLRRD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169098 for 2566 contacts (-65.9/contact) +
2D Compatibility (PS) -32580 + (NN) -15110 + (LL) 1116
1D Compatibility (HY) -27600 + (ID) 5600
Total energy: -248872.0 ( -96.99 by residue)
QMean score : 0.578
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