Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLFERMRALPEDCRAALRRASAWAVLAALLDAACGVLLVPLVEAWFAEGALPWRWVAALLGLSLAQALLQYLALRRGFAAGGSLAAGLVRSLVARLPRLAPPALRRVAPAEGLLRGPVMQAMGIPAHLLGPLIAALVTPLGVILGLFLIDPSIALGLLLAGAFLAALLRWSGRRNLAAEDARLAAERDAARQLQAFAERQPLLRAAQRESVARQGLEEALRSLHRSTLDLLRRSLPSGLGFALAVQAAFAFALLGGAWAVERQWLDGARLVAVLVLLVRFIEPLAQLTHLDQALRGAWQALDTLLRVFALAPLRSPEPGERPHDASLAAEAVELRLEDGRA-LLEDISLRLEPGSLNVLVGPSGAGKSSLLALLGRLYDVDAGRVLLGGVDIRRLSETTLAASRNLVFQDNGLFRGSVAWNLRMARADADLEALREAARAVGLLEEIEAWPQGWDSDVGPGGALLSGGQRQRLCLARGLLSTAPLLLLDEPTASLDAASEAQVLRSLLGLRGRRTLLVVTHRPALARQADQVLLLEEGRLRLSGLHADLLVRDDWYAGFVGLAGEESSATVVDR |
2HYD Chain:B ((343-569)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGRPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAY------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HYD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130090 for 1797 contacts (-72.4/contact) +
2D Compatibility (PS) -25058 + (NN) -16177 + (LL) 31164
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -160511.0 ( -89.32 by residue)
QMean score : 0.436
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