Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK |
| 2DYK Chain:A ((1-160)) | --MHKVVIVGRPNVGKSSLFNRLLKKRS-----------DLKEGVVETDRGRFLLVDTGGLWSGDK-WEKKIQEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -88024 for 1181 contacts (-74.5/contact) +
2D Compatibility (PS) -16174 + (NN) -2749 + (LL) 20576
1D Compatibility (HY) -8800 + (ID) 2850
Total energy: -98021.0 ( -83.00 by residue)
QMean score : 0.625
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