Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAIILLDTKTINRIAAGEVIERPASVVKELVENAIDAGSSEIEIKIESGGCNLITITDDGGGIEKSDLELAFMRHATSKLSDSELIE-IKHLGFRGEALSSIAAVSRIKLSSKANGASEAWSISYEGGEKIGELIPYSLPQGTHIEVRDLFFATPNRLKFLKTERAEIQSIVDIVNNLAMINYSIGFTLTSGSKKPLKY------AKQTSLFSRLCEVEEEFQDNSLEINEEEDGVRLTGHICKPT-VNRGKSDMIYTFVNGRPIKDNLLVSAIRYAYHDFIPSNRYPFATLHLEIPYDQIDVNVHPNKSEVRFQNKRLIYEIVRRGLIKALSTRTGNSAVSNIDRSRCQGIGKETSGLPFDVSESQGNDNHINNGKSRETKSERELYERRPNPFENRLMKESNSPSVGKKDLSERSVLFDSGIQKSLSQAKTVVLEREQIDLIENHPLGFARCQVYNTYIIAEARGKLIIVDQHAAHERLVYECLKQKSSIKRQKLLLSEVVEIKNQAGMEMVEVYKDKLFEMGFDIQINSENKVIVKEIPAILGTIDVKEMLIDIVDRLMEIEDMLPIEDKVNKILATIACHGSIRAGRTMKLEEMNVLLRQMEETPYSGQCNHGRPTHIEMKLSDIEKLFERR |
1NHJ Chain:A ((3-332)) | MPIQVLPPQLANQIAAGEVVERPASVVKELVENSLDAGATRIDIDIERGGAKLIRIRDNGCGIKKDELALALARHATSKIASLDDLEAIISLGFRGEALPSISSVSRLTLTSRTAEQQEAWQAYAEGRDMNVTVKPAAHPVGTTLEVLDLFYNTPARRKFLRTEKTEFNHIDEIIRRIALARFDVTINLSHNGKIVRQYRAVPEGGQKERRLGAICGT--AFLEQALAIEWQHGDLTLRGWVADPNHTTPALAEIQYCYVNGRMMRDRLINHAIRQACEDKLGADQQPAFVLYLEIDPHQVDVNVHPAKHEVRFHQSRLVHDFIYQGVLSVLQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NHJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148547 for 2636 contacts (-56.4/contact) +
2D Compatibility (PS) -34117 + (NN) -6472 + (LL) 21764
1D Compatibility (HY) -23600 + (ID) 6750
Total energy: -197722.0 ( -75.01 by residue)
QMean score : 0.514
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