Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTELITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPIADIDTINLELILADLESINKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTEEEAKVVKGLFLLTTKPVLYVANVDEDKVADPDDIDYVNQIRAFAETENAEVVVISARAEEEISELDDEDKLEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGIKAPQAASIIHSDFERGFIRAVTMSYDDLIQYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV |
| 2DYK Chain:A ((2-90)) | --HKVVIVGRPNVGKSSLFNRLLKKRS----------DLKEGVVETDR-----------------GRFLLVDTGGLWSGDKWEKKIQEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERLP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DYK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -27298 for 492 contacts (-55.5/contact) +
2D Compatibility (PS) -8029 + (NN) 1265 + (LL) 18012
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -20800.0 ( -42.28 by residue)
QMean score : 0.474
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