Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKERIVNLETLDFETSQEVSLRPNLWEDFIGQEKIKSNLQISICAAKKRQESLDHMLFFGPPGLGKTSISHIIAKEMETNIKITAAPMIEKSGDLAAILTNLQAKDILFIDEIHRLSPAIEEVLYPAMEDFRLDIIIGSGPAAQTIKIDLPPFTLIGATTRAGMLSNPLRDRFGMSFRMQFYSPSELSLIIKKAAAKLNQDIKEESADEIAKRSRGTPRIALRLLKRVRDFALVKNSSLMDLSITLHALNELGVNELGFDEADLAYLSLLANA-QGRPVGLNTIAASMREDEGTIEDVIEPFLLANGYLERTAKGRIATPKTHALLKIPTLNPQTLF |
1IN4 Chain:A ((17-329)) | ------------------QFLRPKSLDEFIGQENVKKKLSLALEAAKMRGEVLDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGDMAAILTSLERGDVLFIDEIHRLNKAVEELLYSAIEDFQID---------------IQPFTLVGATTRSGLLSSPLRSRFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAEMIAKRSRGTPRIAIRLTKRVRDMLTVVKADRINTDIVLKTMEVLNIDDEGLDEFDRKILKTIIEIYRGGPVGLNALAASLGVEADTLSEVYEPYLLQAGFLARTPRGRIVTEKAYKHLKYEVP------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158871 for 2429 contacts (-65.4/contact) +
2D Compatibility (PS) -31658 + (NN) -7794 + (LL) 2924
1D Compatibility (HY) -29600 + (ID) 7450
Total energy: -232449.0 ( -95.70 by residue)
QMean score : 0.597
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