Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILEIKDLHVSVENPAEADHEIPILRGVDLTVKSGETHALMGPNGSGKSTLSYAIAGHPKYHVTSGTITLDGADVLAMSIDERARAGLFLAMQYPVEVPGVSMSNFLRSAATAI---RGEPPKLRHWVKEV-KAAMAALDIDPAFAERSVNEGFSGGEKKRHEILQLELLKPKIAILDETDSGLDVDALRVVSEGVNRYAESQHGGILLITHYTRILRYIHPEYVHVFVGGRIVESGGSELADELDQNGYVRFSPASGRYPHQPAPTGA
2D3W Chain:A ((1-241))
--MLSIKDLHVSVEDKA-------ILRGLSLDVHPGEVHAIMGPNGSGKSTLSATLAGREDYEVTGGTVEFKGKDLLALSPEDRAGEGIFMAFQYPVEIPGVSNQFFLQTALNAVRSYRGQETLDRFDFQDLMEEKIALLKMPEDLLTRSVNVGFSGGEKKRNDILQMAVLEPELCILDESDSGLDIDALKVVADGVNSLRDGKR-SFIIVTHYQRILDYIKPDYVHVLYQGRIVKSGDFTLVKQLEEQGY-------------------
General information:
TITO was launched using:
RESULT:
Template:
2D3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136589 for 1827 contacts (-74.8/contact) +
2D Compatibility (PS) -25900 + (NN) -11092 + (LL) 776
1D Compatibility (HY) -28000 + (ID) 6300
Total energy: -207105.0 ( -113.36 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_2D3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D3W-query.scw
PDB file :
Tito_Scwrl_2D3W.pdb
: