Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVPIYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNE-PENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASDIPLIVDNTFATA-YLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFNWANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRDTGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGSIFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
2CTZ Chain:A ((2-420)) | -----RFETLQLHAGYEPEPTTLSRQVPIYPTTSYVFKSPEHAANLFALKEFGNIYSRIMNPTVDVLEKRLAALEGGKAALATASGHAAQFLALTTLAQAGDNIVSTPNLYGGTFNQFKVTLKRLGIEVRFTSREERPEEFLALTDEKTRAWWVESIGNPALNIPDLEALAQAAREKGVALIVDNTFGMGGYLLRPLAWGAALVTHSLTKWVGGHGAVIAGAIVDGGNFPWEGGRYPLLTEPQPGYHGLRLTEAFGELAFIVKARVDGLRDQGQALGPFEAWVVLLGMETLSLRAERHVENTLHLAHWLLEQPQVAWVNYPGLPHHPHHDRAQKYFKGKPGAVLTFGLKGGYEAAKRFISRLKLISHLANVGDTRTLAIHPASTTHSQLSPEEQAQAGVSPEMVRLSVGLEHVEDLKAELKEAL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CTZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -238989 for 3687 contacts (-64.8/contact) +
2D Compatibility (PS) -46015 + (NN) -32830 + (LL) 724
1D Compatibility (HY) -36400 + (ID) 10950
Total energy: -364460.0 ( -98.85 by residue)
QMean score : 0.559
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