Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLENKVAVVTGASTGIGQASAIALAQEGAYVLAVDIAEAVSETVDKIKSNGDNAKAYNVDISDEQQVVDFVSDIKEQFGRIDVLFNNAGVDNAAGRIHEYPIDVYDKIMNVDMRGTILMTKMMLPLMMNQG-GSIVNTSSFSGQAEDLYRSGYNAAKGAVINFTKSIAIEYGRDGIRSNAIAPGTIETPLVDKLTGTSEDDAGKTFRENQKWMTPLGRLGKPEEVAKLVVFLASDDSSFITGETIRIDGGVMAYTWPGEMLSDDSWKRTLE |
4NBU Chain:A ((9-249)) | -SRLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGK--EAVEAN-PGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDS-MLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVAEVP--------EKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIM------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NBU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94108 for 2107 contacts (-44.7/contact) +
2D Compatibility (PS) -25462 + (NN) -6185 + (LL) 948
1D Compatibility (HY) -20400 + (ID) 4750
Total energy: -149957.0 ( -71.17 by residue)
QMean score : 0.494
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