Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIEIRNVSKNFNAFKALDDINLDIQSGELVALLGPSGCGKTTLLRIIAGLETPDAGNIVFHGEDVSQHDVRDRNVGFVFQHYALFRHMTVFDNVAFGLRMKPKGERPGESAIKAKVHELLNMVQLDWLADRYPEQLSGGQRQRIALARALAVEPKILLLDEPFGALDAKVRKELRRWLARLHEEINLTSVFVTHDQEEAMEVADRIVVMNKGVIEQIGSPGEVYENPASDFVYHFLGDSNRLQLGNDQHLLFRPHEVSLSRSAVAEHRAAEVRDIRPLGAITRVTLKVDGQDELIEAEVVKDHDSLAGLARGETLYFKPKAFQPVANL |
3PUV Chain:B ((3-236)) | -SVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLA--GAK--KEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVTATAIDQVQVELPMPNRQQVWLPVENMSLGIRPEHLLPSDIADVILEGEVQVVEQLGNETQIHIQIPSIRQNLVYRQNDVVL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162163 for 1879 contacts (-86.3/contact) +
2D Compatibility (PS) -25556 + (NN) -12655 + (LL) -180
1D Compatibility (HY) -25200 + (ID) 5350
Total energy: -231104.0 ( -122.99 by residue)
QMean score : 0.586
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