Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFKEAQAFIENMYKECHYETQIINKRLHDIELEIKETGTYTHTEEELIYGAKMAWRNSNRCIGRLFWDSLNVIDARDVTDEASFLSSITYHITQATNEGKLKPYITIYAPKD-GPK---IFNNQLIRYAGYDN----CGDPAEKEVTRLANHLGWKGKGTNFDVLPLIYQLP-NESVKFYEYPTSLIKEVPIEHNHYPKLRKLNLKWYAVPIISNMDLKIGGIVYPTAPFNGWYMVTEIGVRNFIDDYRYNLLEKVADAFEFDTLKNNSFNKDRALVELNYAVYHSFKKEGVSIVDHLTAAKQFELFERNEAQQGRQVTGKWSWLAPPLSPTLTSNYHHGYDNTVKDPNFFYKKKESNANQCPFHH |
4UGI Chain:A ((6-360)) | ILWNEAKAFIAACYQELGKAAEV-KDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEEVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSLTAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLADEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQAEEAGRKLTGDWTWLIPPISPAATHIFHRSYDNSIVKPNYFYQDK----------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4UGI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -164720 for 2789 contacts (-59.1/contact) +
2D Compatibility (PS) -38448 + (NN) -20806 + (LL) 520
1D Compatibility (HY) -33600 + (ID) 9350
Total energy: -266404.0 ( -95.52 by residue)
QMean score : 0.653
|
|
|