Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTIKSIPIRTFILLYKSSPKCVVLASITVLFVGILPSLNILVMIKLIDIVVNLLQKHTHFEYSLLLPTLLLWGALLFLTHVFSGILSSLQTIIAEQFSINIITQLANKLTQVKNLNFFENKDHTIKLNTIHNGLHIRPLNYVSNLFFNLQRIIGLISLFGILFSISIYLPFIMIFATVPCILISNHIAKKHSASIDKLQDQKESMQNYLYSGLDNQKNKDNLLFNFMLNFHHKFIETKELYLNNFVKVAQKNLIFTIYADVLITTLSIALFFLMVFIILSKLIGVGAIAGYIQAFSSTQQQLQDLSFYGKWFFAINKYFENYFCILDYKIPKPETQIKLEEKIHSITFENISFSYPNSK--LIFENFNLSLHSNKIYALVGKNASGKSTLINLLLGFYTPNSGQIIINNKYPLQDLELNSYHQQMSAIFQDFSLYA-------GYSIDDNLFMQNNITKEQLKQKREILKS--FDENFQNCLNDCNNTLFGAQYNGVDFSLGQKQRIATMRAFLKPSNCIVLDEPSSAIDPIMEKEFL--DFIFKKSQSKMALIITHRMNSVKQANEIIVLDQGKLIEQGNFETLMKK-QGLFCELFLKQQY |
4AYX Chain:A ((341-574)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDG-HDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADD----PSSVTAEEIQRVAEVANAVAFIRNFPQGFN----TVVGEK--GVLLSGGQKQRIAIARALLKNPKILLLDEATSALD--AENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLSKPNG----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AYX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112881 for 1612 contacts (-70.0/contact) +
2D Compatibility (PS) -23840 + (NN) -10304 + (LL) 32256
1D Compatibility (HY) -17200 + (ID) 4250
Total energy: -136219.0 ( -84.50 by residue)
QMean score : 0.524
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