Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADLKIRNLQKGFDGQAIIKGIDLDVRDREFVVFVGPSGCGKSTLLRLIAGLEEASGGSIALDGTDITDTPPAKRDLAMVFQTYALYPHMTVRRNLSFALDLAGVDKREVAAKVDAAARILELQALLERKPRQLSGGQRQRVAIGRAIVRNPKIFLFDEPLSNLDAALRVQMRLELARLHQELAATMIYVTHDQVEAMTLADKVVVLNGGRVEQVGSPLELYHHPANLFVAGFLGTPKMGFLRGHLSRNQGERCEVALECGAR--VGLPLCAGELATGSPVTLGIRPEHLNIARPGHAFQGLLRVAADVSERLGSDSFCHVRADS-GEMLTLRVRGDFAPDYGAPLELGFDPEHCHLFDSNGQALDKRLQQAA |
3PUZ Chain:B ((2-361)) | -ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHL---LPSDIADVILEGEVQVVEQLGNETQIHIQIPSIRQNLVYRQNDVVLVEEGATFAIGLPPERCHLFREDGTA--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -239927 for 2755 contacts (-87.1/contact) +
2D Compatibility (PS) -38888 + (NN) -21336 + (LL) 1444
1D Compatibility (HY) -40400 + (ID) 9250
Total energy: -348357.0 ( -126.45 by residue)
QMean score : 0.495
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