Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDEQPLSRPGAHVKYAVLGATGLLGHHAARAIRAAGHDLVLIHRPSSQIQRLAYLEPECRVAEMLDHAGLERALR--GLDGVIFSAGYYPSRP--RRWQEEVASALGQTNPFYAACLQAR-VPRILYVGSAYAMPRHPQ-GLPGHEGLFYDSLPSGKSSYVLCKWALDEQAREQA-RNGLPVVIGIPGMVLGELDIGPT-TGRVITAI-----GNGE-MTHYVAG--QRNVIDAAEAGRGLLMALERGRIGERYLLTG-HNLEMADLTRRIAELLGQPAPQPMSMAMARALATLGRLRYRVSGQLPLLDETAIEVMAGGQFLDGRKAREELGFFSTTALDDTLLRAIDWFRDNGYFNA |
| 2PK3 Chain:A ((13-320)) | ------------MRALITGVAGFVGKYLANHLTEQNVEVFGTSRNNEAK----LPNVEMISLDIMDSQRVKKVISDIKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRDSNLDCRILTIGSSEEYGMILPEESPVSEENQL----RPMSPYGVSKASVGMLARQYVKAYGMDIIHTRTFNHIGPGQSLGFVTQDFAKQIVDIEMEKQEPIIKVGNLEAVRDFTDVRDIVQAYWLLSQYGKTGDVYNVCSGIGTRIQDVLDLLLAMANVKIDTELN-PLQ------------LR---P---S-----EVPTLIGSNKRLKDSTGWKPRIPLEKSLFEILQSYRQ------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2PK3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -180125 for 2456 contacts (-73.3/contact) +
2D Compatibility (PS) -32251 + (NN) -13627 + (LL) 3340
1D Compatibility (HY) -6000 + (ID) 1950
Total energy: -230613.0 ( -93.90 by residue)
QMean score : 0.442
|
|
|