Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKKLTENKKPLVDKEDKKTPPVKGFTKKNK----SRRDFITLTTCAMASIGTVSG----LWPLIKSMNPSAEVLAMSTVEVNLSGIQEGHGIKVKWQGKPVFIRRRTKQEIKAARVVNVEDLRDPQSDEQRVHKGKDEWLIMVGVCTHLGCVPVEHATKDGNGWFCPCHGSYYDTSGRVIGGPAPKNMVVPDYFFPNENVVVIGKKA
2BCC Chain:E ((12-196))
----------------DYRRPPDDYSTKSSRESDPSRKGFSYLVT-AVTTLGVAYAAKNVVTQFVSSMSASADVLAMSKIEIKLSDIPEGKNMAFKWRGKPLFVRHRTKKEIDQEAAVEVSQLRDPQHDLERVK--KPEWVILIGVCTHLGCVPIANA-GDFGGYYCPCHGSHYDASGRIRKGPAPLNLEVPSYEFTSDDMVIVG---
General information:
TITO was launched using:
RESULT:
Template:
2BCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40112 for 1158 contacts (-34.6/contact) +
2D Compatibility (PS) -19115 + (NN) -9374 + (LL) 1228
1D Compatibility (HY) -16400 + (ID) 4300
Total energy: -88073.0 ( -76.06 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_2BCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BCC-query.scw
PDB file :
Tito_Scwrl_2BCC.pdb
: