Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVKVEQLTGGYGKRPVIKDINFELNKGEIVGLIGLNGAGKSTTIKHMLGLLTPMEGSLSISDINI---NDDIEAYRRKLSYIPESPVIYEELTLEEHIEMTAM-AYDIDRDEAMNRAMPLLKTFRLENELKVFPSHFSKGMKQKVMIICAFIVNPELYIIDEPFLGLDPLGIQSMLDLMVEKKNEGRTVLMSTHILATAERYCDRFIILDEGEVVAFGDLEALRQQTGLHNQTLDDIYIHVTQGGDVHA
2OUK Chain:A ((25-246))
--IDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDL--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2OUK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176444 for 1794 contacts (-98.4/contact) +
2D Compatibility (PS) -23510 + (NN) -10385 + (LL) 1684
1D Compatibility (HY) -17600 + (ID) 3250
Total energy: -229505.0 ( -127.93 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_2OUK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OUK-query.scw
PDB file :
Tito_Scwrl_2OUK.pdb
: