Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
2GKS Chain:A ((369-542))
--------------------HKQGFCVWLTGLPCAGKSTIAEILATMLQARGRKVTLLDGDVVRTHLSRGLGFSKEDRITNILRVGFVASEIVKHNGVVICALVSPYRSARNQVRNMMEEGKFIEVFVDAPVEVCEERDVKGLYKKA------GFTGVDDPYEPPVAPEVRVDTTKLTPEESALKILEFLKKEGFI
General information:
TITO was launched using:
RESULT:
Template:
2GKS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95170 for 1345 contacts (-70.8/contact) +
2D Compatibility (PS) -18825 + (NN) -10030 + (LL) 1132
1D Compatibility (HY) -12800 + (ID) 3550
Total energy: -139243.0 ( -103.53 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_2GKS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GKS-query.scw
PDB file :
Tito_Scwrl_2GKS.pdb
: