Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
3PGX Chain:D ((11-280))
-----GSLQGRVAFITGAARGQGRSHAVRLAAEGADIIACDICAPVSASVTYAPASPEDLDETARLVEDQGRKALTRVLDVRDDAALRELVADGMEQFGRLDVVVANAGVLSWGRVWELTDEQWDTVIGVNLTGTWRTLRATVPAMIEAGNGGSIVVVSSSAGLKATPGNGHYSASKHGLTALTNTLAIELGEYGIRVNSIHPYSVETPMIEPEAMMEIFARHPSFVHSFPPMPVQPNGFMTADEVADVVAWLAGDGSGTLTGTQIPVDKGALKY
General information:
TITO was launched using:
RESULT:
Template:
3PGX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132321 for 2416 contacts (-54.8/contact) +
2D Compatibility (PS) -29078 + (NN) -10032 + (LL) 252
1D Compatibility (HY) -31600 + (ID) 11100
Total energy: -213879.0 ( -88.53 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3PGX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PGX-query.scw
PDB file :
Tito_Scwrl_3PGX.pdb
: