Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQKVNPIGFRLKINNNTWDSVWYAN-KDYKEKLHQDLFIRSYINESFKHAGLSKIIIERKVDLLSVTIHSSRPGVIIGKKGLDIEKVKQKIAEKVKNSVEVNVVGIKRPEIDAALISSSIAQQLEKRVSFRRAMKKAIQSCLRMGGGGIKVGCSGRLGGAEIARTEWYKEGRLPLHTLRANIDYAFCEAKTIYGIIGVKVWVYIVN
2YKR Chain:C ((1-202))
-GQKVHPNGIRLGIVK-PWNSTWFANTKEFADNLDSDFKVRQYLTKELAKASVSRIVIERPAKSIRVTIHTARPGIVIGKKGEDVEKLRKVVADIAGVPAQINIAEVRKPELDAKLVADSITSQLERRVMFRRAMKRAVQNAMRLGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYNTSEAHTTYGVIGVKVWIFKGE
General information:
TITO was launched using:
RESULT:
Template:
2YKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96856 for 1713 contacts (-56.5/contact) +
2D Compatibility (PS) -22015 + (NN) -9132 + (LL) 128
1D Compatibility (HY) -19200 + (ID) 5350
Total energy: -152425.0 ( -88.98 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_2YKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YKR-query.scw
PDB file :
Tito_Scwrl_2YKR.pdb
: