Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPFKSGF-VAIVGRPNVGKSTLLNHIIGQKIAIMSDKAQTTRNKVQGVYTTDESQIIFIDTPGIHKPKHKLGDFMVKIALNTFQEVDLIYFVIDASTGFGRGDEFIIEKLKNVQTPVFLLINKIDLIAPEDLFKLIEQYRDLMDFDEIIPISALQGNNVPNLLEQTNANLEIGPMYYPKDQITDHPERFIISELIREQVLQLTREEVPHSVAVVIEGIEKNPKTEKLTINATIIVERSTQKGIIIGKQGQMLKQIGMRARKEIERLLGSKVFLEIWVKVQKNWRDKEHYLQDYGFDREEY |
3GEH Chain:A ((219-343)) | --ELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKH--RPLILVMNKIDLV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68073 for 661 contacts (-103.0/contact) +
2D Compatibility (PS) -11484 + (NN) -6961 + (LL) 15376
1D Compatibility (HY) -10000 + (ID) 2200
Total energy: -83342.0 ( -126.08 by residue)
QMean score : 0.543
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