Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSC------GHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
2C81 Chain:A ((10-205))
--------EWPQHSDRTRRKIEEVFQSNRWAISGYWTGEESMERKFAKAFADFNGVPYCVPTTSGSTALMLALEALGIGEGDEVIVPSLTWIATATAVLNVNALPVFVDVEADTYCIDPQLIKSAITDKTKAIIPVHLFGSMANMDEINEIAQEHNLFVIEDCAQSHGSVWNNQRAGTIGDIGAFSCQQGKVLTAGEGGIIVTK-
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) -128893 for 1550 contacts (-83.2/contact) +
2D Compatibility (PS) -20777 + (NN) -8990 + (LL) 368
1D Compatibility (HY) -10000 + (ID) 3600
Total energy: -171892.0 ( -110.90 by residue)
QMean score : 0.388
(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
: