Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTD-AQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNI---MTVKRVGIIISCIWAACTVSGILFIIYSD------------SSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPG-------------------------------------------------------------------------------------------------------------------------------------------------------TGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY |
3PBL Chain:A ((43-472)) | ------------------------------------------------LSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEV--TGGVWNFSRICCDVFVTLDVMMCT---ASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCH---VSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -259943 for 1950 contacts (-133.3/contact) +
2D Compatibility (PS) -26721 + (NN) -6890 + (LL) 2860
1D Compatibility (HY) -23600 + (ID) 2900
Total energy: -317194.0 ( -162.66 by residue)
QMean score : 0.271
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