Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQKVNPIGFRLKINNNTWDSVWYANK-DYKEKLHQDLFIRSYINESFKHAGLSKIIIERKVDLLSVTIHSSRPGVIIGKKGLDIEKVKQKIAEKVKNSVEVNVVGIKRPEIDAALISSSIAQQLEKRVSFRRAMKKAIQSCLRMGGGGIKVGCSGRLGGAEIARTEWYKEGRLPLHTLRANIDYAFCEAKTIYGIIGVKVWVYIVN
2YKR Chain:C ((1-205))
-GQKVHPNGIRLGI-VKPWNSTWFANTKEFADNLDSDFKVRQYLTKELAKASVSRIVIERPAKSIRVTIHTARPGIVIGKKGEDVEKLRKVVADIAGVPAQINIAEVRKPELDAKLVADSITSQLERRVMFRRAMKRAVQNAMRLGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYNTSEAHTTYGVIGVKVWIFKGE
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) -96769 for 1751 contacts (-55.3/contact) +
2D Compatibility (PS) -22428 + (NN) -9728 + (LL) 128
1D Compatibility (HY) -18400 + (ID) 5300
Total energy: -152497.0 ( -87.09 by residue)
QMean score : 0.467
(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
: