Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPFKSGFVAIVGRPNVGKSTLLNHIIGQKIAIMSDKAQTTRNKVQGVYTTDESQIIFIDTPGIHKPKHKLGD-FMVKI---ALNTFQEVDLIYFVIDASTGFGRGDEFIIEKLKNVQTPVFLLINKIDLIAPEDLFKLIEQYRDLMDFDEIIPISALQGNNVPNLLEQTNANLEIGPMYYPKDQITDHPERFIISELIREQVLQLTREEVPHSVAVVIEGIEKNPKTEKLTINATIIVERSTQKGIIIGKQGQMLKQIGMRARKEIERLLGSKVFLEIWVKVQKNWRDKEHYLQDYGFDREEY |
4DCU Chain:A ((26-183)) | ---------VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG----------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL-----------YDFYS--LGFGEPYPISGTHGLGLGDLLD---------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DCU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110637 for 903 contacts (-122.5/contact) +
2D Compatibility (PS) -13024 + (NN) -4482 + (LL) 13468
1D Compatibility (HY) -10400 + (ID) 2300
Total energy: -127375.0 ( -141.06 by residue)
QMean score : 0.544
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