Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSEPFKSGFVAIVGRPNVGKSTLLNHIIGQKIAIMSDKAQTTRNKVQGVYTTDESQIIFIDTPGIHKPKHK-----LGDFMVKIALNTFQEVDLIYFVIDASTGFGRGDEFIIEKLKNVQTPVFLLINKIDLIAPEDL----FKLIEQYRDLMDFDEIIPISALQGNNVPNLLEQTNANLEIGPMYYPKDQITDHPERFIISELIREQVLQLTREEVPHSVAVVIEGIEKNPKTEKLTINATIIVERSTQKGIIIGKQGQMLKQIGMRARKEIERLLGSKVFLEIWVKVQKNWRDKEHYLQDYGFDREEY |
| 3PQC Chain:A ((19-193)) | --PPPLKGEVAFVGRSNVGKSSLLNALFNRKIAFVSKTPGKTRSINFY---LVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFS-KYGEYTIIPTSSVTGEGISELLDLISTLLK--------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86451 for 1230 contacts (-70.3/contact) +
2D Compatibility (PS) -17845 + (NN) -9511 + (LL) 11184
1D Compatibility (HY) -12400 + (ID) 2200
Total energy: -117223.0 ( -95.30 by residue)
QMean score : 0.532
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