Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQAILEIKHLKKSYGSNEVLKDISLSVNKGEVISIIGSSGSGKSTFLRSINLLEEPSGGEILYHGHNVLEKGYDLNNYREKLGMVFQSFNLFENLNILENAIVAQTTVLKRERQEAEKIAKENLNAVGMTEQYWKAKPKQLSGGQKQRVAIARALSVNPEAILFDEPTSALDPEMVGEVLKTMQDLAKSGLTMIIVTHEMEFAKEVSDRVIFMDKGIIAEQGTPKQLFENPTQERTKEFLQRFLK
3C41 Chain:K ((3-240))
----MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKA-HAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104504 for 1963 contacts (-53.2/contact) +
2D Compatibility (PS) -25537 + (NN) -12822 + (LL) 812
1D Compatibility (HY) -26800 + (ID) 6600
Total energy: -175451.0 ( -89.38 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: