Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAIILLDTKTINRIAAGEVIERPASVVKELVENAIDAGSSEIEIKIESGGCNLITITDDGGGIEKSDLELAFMRHATSKLSDSELIE-IKHLGFRGEALSSIAAVSRIKLSSKANGASEAWSISYEGGEKIGELIPYSLPQGTHIEVRDLFFATPNRLKFLKTERAEIQSIVDIVNNLAMINYSIGFTLTSGSKKPLKY----AKQTSLFSRLCEVEEEFQDNSLEINEEEDGVRLTGHICKPT-VNRGKSDMIYTFVNGRPIKDNLLVSAIRYAYHDFIPSNRYPFATLHLEIPYDQIDVNVHPNKSEVRFQNKRLIYEIVRRGLIKALSTRTGNSAVSNIDRSRCQGIGKETSGLPFDVSESQGNDNHINNGKSRETKSERELYERRPNPFENRLMKESNSPSVGKKDLSERSVLFDSGIQKSLSQAKTVVLEREQIDLIENHPLGFARCQVYNTYIIAEARGKLIIVDQHAAHERLVYECLKQKSSIKRQKLLLSEVVEIKNQAGMEMVEVYKDKLFEMGFDIQINSENKVIVKEIPAILGTIDVKEMLIDIVDRLMEIEDMLPIEDKVNKILATIACHGSIRAGRTMKLEEMNVLLRQMEETPYSGQCNHGRPTHIEMKLSDIEKLFERR |
1NHH Chain:A ((3-332)) | MPIQVLPPQLANQIAAGEVVERPASVVKELVENSLDAGATRIDIDIERGGAKLIRIRDNGCGIKKDELALALARHATSKIASLDDLEAIISLGFRGEALASISSVSRLTLTSRTAEQQEAWQAYAEGRDMNVTVKPAAHPVGTTLEVLDLFYNTPARRKFLRTEKTEFNHIDEIIRRIALARFDVTINLSHNGKIVRQYRAVP-QKERRLGAICGT--AFLEQALAIEWQHGDLTLRGWVADPNHTTPALAEIQYCYVNGRMMRDRLINHAIRQACEDKLG--QQPAFVLYLEIDPHQVDVNVHPAKHEVRFHQSRLVHDFIYQGVLSVLQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NHH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -143345 for 2605 contacts (-55.0/contact) +
2D Compatibility (PS) -34115 + (NN) -9164 + (LL) 21800
1D Compatibility (HY) -23600 + (ID) 6750
Total energy: -195174.0 ( -74.92 by residue)
QMean score : 0.493
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