Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNLKLSEEIKRAINELGYTEATPVQKAVIPVALT--GEDIVAKSQTGSGKTAAFAIPIAEQVEWEENKPQALIIVPTRELAMQVKTECTNIGRF-KRVK-AAAIYGQSPFAKQKLELSQK--NHIVVGTPGRLLDHIEK-GSLNVDKVAHLVLDEVDEML-SMGFIDQVEDILSRLPKQRQNLFFSATMPEEMQDLIKRYQDNPMVIEMASEK----TNPIFHVEMQT-DNKEKTLKDVLITENPDSAIIFCNTKNQVDELTDLLDVKASKI---HGGLRQEDRFRAMDDFKSGKSRFLIATDVAGRGIDVDNVSLVINYDLPIEK------ENYVHRIGRTGRAGKSGKAISFVKTNEN-PLLRDIEEMLDVTIEKKRKPTVIEVKVNEDAFRKKQQKRPTIKKARGEKLNKNIMKLYFNGGKKKKIRAVDFVGTISKLEGITAEDIGIITIEDHVSFVEILNGKGPAVLEMMRSRKVKGRRLKVNEARKR |
3FHT Chain:B ((30-398)) | ---LRLKPQLLQGVYAMGFNRPSKIQENALPLMLAEPPQNLIAQSQSGTGKTAAFVLAMLSQVEPANKYPQCLCLSPTYELALQTGKVIEQMGKFYPELKLAYAVRGN------------KISEQIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIATQGHQDQSIRIQRMLPRNCQMLLFSATFEDSVWKFAQKVVPDPNVIKLKREEETLDTIKQYYVLCSSRDEKFQALCNLYGAITIAQAMIFCHTRKTASWLAAELSKEGHQVALLSGEMMVEQRAAVIERFREGKEKVLVTTNVCARGIDVEQVSVVINFDLPVDKDGNPDNETYLHRIGRTGRFGKRGLAVNMVDSKHSMNILNRIQEHFNKKIER------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3FHT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181367 for 2807 contacts (-64.6/contact) +
2D Compatibility (PS) -36424 + (NN) -9287 + (LL) 9368
1D Compatibility (HY) -27600 + (ID) 6100
Total energy: -251410.0 ( -89.57 by residue)
QMean score : 0.515
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