Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEDKNQTVVTEFLLLGLTDHPYQKIVLFFMFLFVYLITLGGNLGMITLIWIDPRLHTPMYFFLRHLSFVDICSSSSVVPKMLCNIFAEKKDITFLGCAAQMWFFGLFEAAECFLLAAMAYDRYVAICKPLLYTLIMSQQVCMQLVVGPYAMALISTMTHTIFTFCLPFCGSNIINHFFCDIFPLLSLACADTWVNKFVLFVLAGAIGVLSGLIIMVSYICILMTILKIQTA-------------------------------------------------------------------------------------------------------------------------------------------------------------------DGKQKAFFTCFSHLAAVSILYGTLFLIYVRPSSS------------SSLGIYKVISLFYTVVIPMVNPLIYSLRNKEVKDAFRRKIERKKFIIGR |
3ODU Chain:A ((46-497)) | ---------------------FNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFV-ITLPFWAVDAV-ANWYFGNFLCKAVHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANV-----SEADDRYICDRFYPND------LWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSGSNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSGRPLEVL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ODU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -243430 for 1989 contacts (-122.4/contact) +
2D Compatibility (PS) -27800 + (NN) -3507 + (LL) 2140
1D Compatibility (HY) -18400 + (ID) 2500
Total energy: -293497.0 ( -147.56 by residue)
QMean score : 0.291
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