Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIEVGNKLQGKVTGITNFGAFVELEGGKTGLVHISEVADNYVKDINDILTVGDEVTVKVMNIG-DDGKIGLSIRKAVDRPDRPEK----SYDRKPKYNKKPAGNYVKPAESFEDIMSKFLKDSD-ERLTTIKRQTESKRGGRGAKRG
4NNI Chain:A ((16-146))
----IGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANE--DYTEEFDPAKYGMADSYDEQ--GNYIFP-EGFDAETNEWLEGFEKQRAEWEARYAEAER--------
General information:
TITO was launched using:
RESULT:
Template:
4NNI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25725 for 801 contacts (-32.1/contact) +
2D Compatibility (PS) -13186 + (NN) -2174 + (LL) 316
1D Compatibility (HY) -8800 + (ID) 2350
Total energy: -51919.0 ( -64.82 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_4NNI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NNI-query.scw
PDB file :
Tito_Scwrl_4NNI.pdb
: