Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
2GKS Chain:B ((368-539))
-------------------KHKQGFCVWLTGLPCAGKSTIAEILATMLQARGRKVTLLDGDVVRTHLSRGLGFSKEDRITNILRVGFVASEIVKHNGVVICALVSPYRSARNQVRNMMEEGKFIEVFVDAPVEVCEERDVKGLYKKAKEGLIKGFTGVDDPYEPPVAPEVRVDTTKLTPEESALKILEFLKKEGFI
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) -78929 for 1373 contacts (-57.5/contact) +
2D Compatibility (PS) -18782 + (NN) -8144 + (LL) 796
1D Compatibility (HY) -13200 + (ID) 3700
Total energy: -121959.0 ( -88.83 by residue)
QMean score : 0.479
(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
: