Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLFERMRALPEDCRAALRRASAWAVLAALLDAACGVLLVPLVEAWFAEGALPWRWVAALLGLSLAQALLQYLALRRGFAAGGSLAAGLVRSLVARLPRLAPPALRRVAPAEGLLRGPVMQAMGIPAHLLGPLIAALVTPLGVILGLFLIDPSIALGLLLAGAFLAALLRWSGRRNLAAEDARLAAERDAARQLQAFAERQPLLRAAQRESVARQGLEEALRSLHRSTLDLLRRSLPSGLGFALAVQAAFAFALLGGAWAVERQWLDGARLVAVLVLLVRFIEPLAQLTHLDQALRGAWQALDTLLRVFALAPLRS-PEPGE-RPHDASLAAEAVELRLEDGRALLEDISLRLEPGSLNVLVGPSGAGKSSLLALLGRLYDVDAGRVLLGGVDIRRLSETTLAASRNLVFQDNGLFRGSVAWNLRMARADADLEALREAARAVGLLEEIEAWPQGWDSDVGPGGALLSGGQRQRLCLARGLLSTAPLLLLDEPTASLDAASEAQVLRSLLGLRGRRTLLVVTHRPALARQADQVLLLEEGRLRLSGLHADLLVRDDWYAGFVGLAGEESSATVVDR |
4Q4A Chain:B ((268-583)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NMVNNLGFALI--SGF------GGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAVELREVRGEIEFKNVWFSYDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFY------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q4A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159357 for 2232 contacts (-71.4/contact) +
2D Compatibility (PS) -34090 + (NN) -20352 + (LL) 23696
1D Compatibility (HY) -24800 + (ID) 4500
Total energy: -219403.0 ( -98.30 by residue)
QMean score : 0.349
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