Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK |
2DYK Chain:B ((4-161)) | -----VVIVGRPNVGKSSLFNRLLKKRS-----------DLKEGVVETDRGRFLLVDTGGL-WSGDKWEKKIQEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERLP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DYK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -92599 for 1139 contacts (-81.3/contact) +
2D Compatibility (PS) -15944 + (NN) -3866 + (LL) 20896
1D Compatibility (HY) -10000 + (ID) 2900
Total energy: -104413.0 ( -91.67 by residue)
QMean score : 0.612
|
|
|