Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAINIALDGPAAAGKSTIAKRVASELSMIYVDTGAMYRALTYKYLK----LNKTEDFAKLVDQTTLDLTYKADKGQCVILDNEDVTDFLRNNDVTQHVSYVASKEPVRSFAVKKQKELAAEKG-IVMDGRDIGTVVLPDADLKVYMIASVEERAERRYKDNQLRGIESNFEDLKRDIEARDQYDMNREISPLRKADDAVTLDTTGKSIEEVTDEILAMVSQIK
4DIE Chain:D ((7-220))
-----VAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDPDA-QTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQR--------------------VQRRDHLDSTRAVSPLRPAEDALEVDTSDMTQEQVVAHLLDLV----
General information:
TITO was launched using:
RESULT:
Template:
4DIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90796 for 1480 contacts (-61.3/contact) +
2D Compatibility (PS) -20462 + (NN) -6994 + (LL) 1676
1D Compatibility (HY) -14000 + (ID) 4200
Total energy: -134776.0 ( -91.06 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_4DIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DIE-query.scw
PDB file :
Tito_Scwrl_4DIE.pdb
: