Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASHEHYYVPAQSKWPIIASIGLLVTVFGLGTWFNDLTAGHKESHGPWIFFVGGLIIAYMLFGWFGNVIRESRAGLYSAQMDRSFRWGMSWFIFSEVMFFAAFFGALFYVRHFAGPWLGGEGAKGV-AHMLWPNFQYSWPLLQTPDPKLFPPPSAVIEPWKLPLINTILLVTSSFTVTFAHHALKK-NKRGPLKAWLALTVLLGIAFLILQAEEYVHAYNELGLTLGAGIYGSTFFMLTGFHGAHVTLGALILGIMLIRILRGHFDAEHHFGFEAASWYWHFVDVVWIGLFIFVYVI
1QLE Chain:C ((3-271))
-VKNHDYQILPPSIWPFFGAIGAFVMLTGAVAWMKGITFFGLPVEGPWMFLIGLVGVLYVMFGWWADVVNEGETGEHTPVVRIGLQYGFILFIMSEVMFFVAWFWAFIKNALYPMGPD------SPIKDGVWPP----------------EG-IVTFDPWHLPLINTLILLLSGVAVTWAHHAFVLEGDRKTTINGLIVAVILGVCFTGLQAYEYSHA----AFGLADTVYAGAFYMATGFHGAHVIIGTIFLFVCLIRLLKGQMTQKQHVGFEAAAWYWHFVDVVWLFLFVVIYIW
General information:
TITO was launched using:
RESULT:
Template:
1QLE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -226088 for 1861 contacts (-121.5/contact) +
2D Compatibility (PS) -27260 + (NN) -5687 + (LL) 1028
1D Compatibility (HY) -34800 + (ID) 5150
Total energy: -297957.0 ( -160.11 by residue)
QMean score : 0.215
(partial model without unconserved sides chains):
PDB file :
Tito_1QLE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QLE-query.scw
PDB file :
Tito_Scwrl_1QLE.pdb
: