Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
2ATE Chain:A ((8-168))
--ARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGA
General information:
TITO was launched using:
RESULT:
Template:
2ATE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125731 for 1307 contacts (-96.2/contact) +
2D Compatibility (PS) -17501 + (NN) -7651 + (LL) 180
1D Compatibility (HY) -17200 + (ID) 5200
Total energy: -173103.0 ( -132.44 by residue)
QMean score : 0.667
(partial model without unconserved sides chains):
PDB file :
Tito_2ATE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ATE-query.scw
PDB file :
Tito_Scwrl_2ATE.pdb
: