Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRG-RGFLEGRYDDLRPGLRMNIIA--NPGIPKANFELWSFAVSAINGCSHCLVAHE-HTL-RTVGVDREAIFEALKAAAIVSG-VAQALA--TIEALSPS
3D7I Chain:A ((9-105))
------------------------------------------------------------------------------------GEGMKVVAAAYPDLYDIIVKLNDTVFTGKTLDYKTQKLIAIGIVA-SRCDEVAIEKQMKSAMKELGITKEEIADVLRVVLLTSGMPAFTKAMKILEKL---
General information:
TITO was launched using:
RESULT:
Template:
3D7I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32521 for 518 contacts (-62.8/contact) +
2D Compatibility (PS) -10045 + (NN) -6240 + (LL) 6976
1D Compatibility (HY) -2800 + (ID) 800
Total energy: -45430.0 ( -87.70 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_3D7I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D7I-query.scw
PDB file :
Tito_Scwrl_3D7I.pdb
: