Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
2C81 Chain:A ((35-206))
---------------------------GYWTGEESMERKFAKAFADFNGVPYCVPTTSGSTALMLALEALGIGEGDEVIVPSLTWIATATAVLNVNALPVFVDVEADTYCIDPQLIKSAITDKTKAIIPVHLFGSMANMDEINEIAQEHNLFVIEDCAQSHGSVWNNQRAGTIGDIGAFSCQQGKVLTAGEGGIIVTKN
General information:
TITO was launched using:
RESULT:
Template:
2C81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128421 for 1460 contacts (-88.0/contact) +
2D Compatibility (PS) -18891 + (NN) -8779 + (LL) 1740
1D Compatibility (HY) -11600 + (ID) 3400
Total energy: -169351.0 ( -115.99 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_2C81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C81-query.scw
PDB file :
Tito_Scwrl_2C81.pdb
: