Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGSNHMKNKTLVISGATRGIGKAILYRFAQSGVNIAFTYNKNVEEANKIIEDVEQKYSIKAKAYPLNVLEPEQYTELFKQVDADFDRVDFFISNAIIYGRSVVGGFAPFMRLKPKGLNNIYTATVLAFVVGAQEAAKRMQKIGGGAIVSLSSTGNLVYMPNYAGHGNSKNAVETMVKYAAVDLGEFNIRVNAVSGGPIDTDALKAFPDYVEIKEKVEEQSPLKRMGNPNDLAGAAYFLCDETQSGWLTGQTIVVDGGTTFK
2ZAT Chain:A ((12-259))
------LENKVALVTASTDGIGLAIARRLAQDGAHVVVSSRKQ-ENVDRTVATL-QGEGLSVTGTVCHVGKAEDRERLVAMAVNLHGGVDILVSNA-----AVNPFFGNIIDATEEVWDKILHVNVKATVLMTKAVVPEMEKRGGGSVLIVSSVGAYHPFPNLGPYNVSKTALLGLTKNLAVELAPRNIRVNCLAPGLIKTNFSQVLWMDKARKEYMKESLRIRRLGNPEDCAGIVSFLCSEDAS-YITGETVVVGGGTASR
General information:
TITO was launched using:
RESULT:
Template:
2ZAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117177 for 2186 contacts (-53.6/contact) +
2D Compatibility (PS) -26943 + (NN) -11232 + (LL) 444
1D Compatibility (HY) -11600 + (ID) 3850
Total energy: -170358.0 ( -77.93 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_2ZAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ZAT-query.scw
PDB file :
Tito_Scwrl_2ZAT.pdb
: