Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
1XAI Chain:A ((1-352)) | MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLIDEYVNQYFANKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYYHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITDLDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLKTY-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XAI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -294238 for 3088 contacts (-95.3/contact) +
2D Compatibility (PS) -37690 + (NN) -7127 + (LL) 196
1D Compatibility (HY) -52400 + (ID) 16050
Total energy: -407309.0 ( -131.90 by residue)
QMean score : 0.551
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