Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKRALISVSDKSGIIDFAKELKNLGWDIISTGGTKVALDDAGVETIAIDDVTGFPEMMDGRVKTLHPNIHGGLLARRDADSHLQAAKDNNIELIDLVVVNLYPFKETILRPDVTYDLAVENIDIGGPSMLRSAAKNHASVTVVVDSADYATVLGELADASQTTFKTRQRLAAKAFRHTAAYDALIAEYFTAQVGE-----AKPEKLTITYDLKQAMRYGENPQQDADFYQKALPTDY-SIASAKQLNGKELSFNNIRDADAAIRIIRDFKDSPTVVALKHMNPCGIGQAD-DIETAWDYAYEADPVSIFGGIVVLNREVDAATAEKMHPIFLEIIIAPSYSEEALAILTNKKKNLRILELPFDAQAASEVEAEYTGVVGGLLVQNQDVV---AENPSDWQVVTDRQPTEQEATALEFAWKAIKYVKSNGIIITNDHMTLGLGAGQTNRVGSVKIAIEQAKDHLDGAVLASDAFFPFADNIEEIAAAGIKAIIQPGGSVRDQESIDAANKHGLTMIFTGVRHFRH |
4A1O Chain:B ((11-523)) | --RRALISVYDKTGLVDLAQGLSAAGVEIISTGSTAKTIADTGIPVTPVEQLTGFPEVLDGRVKTLHPRVHAGLLADLRKSEHAAALEQLGIEAFELVVVNLYPFSQTV-ESGASVDDCVEQIDIGGPAMVRAAAKNHPSAAVVTDPLGYHGVLAAL-RAGGFTLAERKRLASLAFQHIAEYDIAVASWMQQTLAPEHPVAAFPQWFGRSWRRVAMLRYGENPHQQAALYGD--PTAWPGLAQAEQLHGKDMSYNNFTDADAAWRAAFDHEQT-CVAIIKHANPCGIAISSVSVADAHRKAHECDPLSAYGGVIAANTEVSVEMAEYVSTIFTEVIVAPGYAPGALDVLA-RKKNIRVLVAAEPLAGGSELRP----ISGGLLIQQSDQLDAHGDNPANWTLATGSPADPATLTDLVFAWRACRAVKSNAIVIAADGATVGVGMGQVNRVDAARLAVERGGERVRGAVAASDAFFPFPDGLETLAAAGVTAVVHPGGSVRDEEVTEAAAKAGVTLYLTGARHFAH |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A1O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -238080 for 4247 contacts (-56.1/contact) +
2D Compatibility (PS) -55464 + (NN) -28652 + (LL) 756
1D Compatibility (HY) -36000 + (ID) 11400
Total energy: -368840.0 ( -86.85 by residue)
QMean score : 0.479
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