Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------MGPNAVEL---TTDQAWCLADVLGAGSYPWVLAITPPYSDHSQRSAFL---AAQSAELTRMGVVNSAGAVDPRVAQWITTVC-RATQWLDLRFVSGPGDLLRGMVARRSEETVVALRNAQLVTFTAMDIGHQHALV------PVLTAGLSGRKPARFDDFALPAAAGARADEQIRNGAPLAEVLEFLGVPP--------SARPLVESVFDG---------RRTYVEIVAGEH---RDGHRVTTEVGVSIID---TPHGRILVHPTKAFDGEWIS---TFTPGSADAIAMAVERLTASLPSGSWFPDQPLTRDFDEDAATHREPVLQRRTQKA------- |
1KOB Chain:A ((23-374)) | INDYDKFYEDIWKKYVPQPVEVKQGSVYDYYDILEELGSGAFGVVHRCVEKATGRVFVAKFINTPYPLDKYTVKNEISIMNQLHHPKLINLHDAFEDKYEMVLILEFLSG-GELFDRIAAEDYKMSEAEVINYMRQACEGLKHMHEHSIVHLDIKPENIMCETKKASSVKIIDFGLATKLNPDEIVKVTTATAEFAAPEIVDREPVGFYTDMWAIGVLGYVLLSGLSPFAGEDDLETLQNVKRCDWEFDEDAFSSVSPEAKDFIKNLLQKEPRKRLTVHDALEHPWLKGDHSNLTSRIPSSRYNKIRQKIKEKYADWPAPQPAIGRIANFSSLRKHRPQEYQIYDSYFDRKEA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KOB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -52104 for 2169 contacts (-24.0/contact) +
2D Compatibility (PS) -30356 + (NN) -10545 + (LL) -140
1D Compatibility (HY) -4400 + (ID) 1900
Total energy: -99445.0 ( -45.85 by residue)
QMean score : 0.181
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