Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNV-ISGEGGALLVNS
4K2I Chain:A ((102-260))
---------------------------------GPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLT----DLGKYADITTLSFNPYKNFGVCGKAGAI----
General information:
TITO was launched using:
RESULT:
Template:
4K2I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109795 for 1301 contacts (-84.4/contact) +
2D Compatibility (PS) -17274 + (NN) -7182 + (LL) 2064
1D Compatibility (HY) -11600 + (ID) 3250
Total energy: -147037.0 ( -113.02 by residue)
QMean score : 0.377
(partial model without unconserved sides chains):
PDB file :
Tito_4K2I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K2I-query.scw
PDB file :
Tito_Scwrl_4K2I.pdb
: