Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITATDLEVRAGARILLAPDGPDLRVQPGDRIGLVGRNGAGKTTTLRILAGEVEPYAGSVTRAGEIGYLPQDPKVGDLDVLARDRVLSARGLDVLLTDLEKQQALMAEVADEDERDRAIRRYGQLEERFVALGGYGAESEAGRICASLGLPERVLTQRLRTLSGGQRRRVELARILFAASESGAGNSTTLLLDEPTNHLDADSLGWLRDFLRLHTGGLVVISHNVDLVADVVNKVWFLDAVRGQVDVYNMGWQRYVDARATDEQRRIRERANAERKAAALRAQAAKLGAKATKAVAAQNMLRRADRMMAALDEERVADKVARIKFPTPAACGRTPLVANGLGKTYGSLEVFTGVDLAIDRGSRVVILGLNGAGKTTLLRLLAGVEQPDTG-VLEPGYGLR------------IGYFAQE-----HDTLDNDATVWE-NVRHAAPDAGEQDLRGLLGAFMFTGPQLEQPAGTLSGGEKTRLALAGLVASTANVLLLDEPTNNLDPASREQVLDALRSYRG---AVVLVTHDPGAAAALGPQRVVLLPDGTEDYWSDEYRDLIELA |
2Q0H Chain:B ((30-234)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYP-DSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDR--VLFMDG---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q0H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79283 for 1387 contacts (-57.2/contact) +
2D Compatibility (PS) -20195 + (NN) -13363 + (LL) 25904
1D Compatibility (HY) -18400 + (ID) 3300
Total energy: -108637.0 ( -78.33 by residue)
QMean score : 0.306
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