Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSICDPALRNALRTLKLSGMLDTLDARLAQTRNGDLGHLEFLQALREDEIARRESAALTRRLRRAKFEAQATFEDFDFTANPKLPGAMLRDLAALRWLDAGESVILHGPVGVGKTHVAQALVHAVARRGGDVR--FAKTSRMLSDLAGGHADRSWGQRIREYTKPLVLILDDFAMREHTAMHADDLYELISDRAITGKPLILTSNRAPNNWYGLFPNPVVAESLLDRLINTSHQILMDGPSYRPRKRPGRTTS |
3EC2 Chain:A ((36-146)) | --------------------------------------------------------------------------------------------------EEGKGLTFVGSPGVGKTHLAVATLKAIYEKKG-IRGYFFDTKDLIFRLKHLMDEGKDTKFLKTVLNSPVLVLDDLGSERLSDWQRELISYIITYRYNNLKSTIITTNYS---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EC2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46575 for 696 contacts (-66.9/contact) +
2D Compatibility (PS) -11618 + (NN) -2985 + (LL) 9492
1D Compatibility (HY) -6000 + (ID) 1350
Total energy: -59036.0 ( -84.82 by residue)
QMean score : 0.466
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