Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQKVNPIGFRLKINNNTWDSVWYAN-KDYKEKLHQDLFIRSYINESFKHAGLSKIIIERKVDLLSVTIHSSRPGVIIGKKGLDIEKVKQKIAEKVKNSVEVNVVGIKRPEIDAALISSSIAQQLEKRVSFRRAMKKAIQSCLRMGGGGIKVGCSGRLGGAEIARTEWYKEGRLPLHTLRANIDYAFCEAKTIYGIIGVKVWVYIVN
4A2I Chain:C ((1-202))
-GQKVHPNGIRLGIVK-PWNSTWFANTKEFADNLDSDFKVRQYLTKELAKASVSRIVIERPAKSIRVTIHTARPGIVIGKKGEDVEKLRKVVADIAGVPAQINIAEVRKPELDAKLVADSITSQLERRVMFRRAMKRAVQNAMRLGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYNTSEAHTTYGVIGVKVWIFKGE
General information:
TITO was launched using:
RESULT:
Template:
4A2I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94139 for 1470 contacts (-64.0/contact) +
2D Compatibility (PS) -21663 + (NN) -7110 + (LL) 128
1D Compatibility (HY) -19200 + (ID) 5350
Total energy: -147334.0 ( -100.23 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_4A2I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A2I-query.scw
PDB file :
Tito_Scwrl_4A2I.pdb
: