Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVP---------DGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAYRELIAGLAEREYLAEHAHKLQFIPVVTREQVPGCLNGRITTLIENGDLERAADLELTPEHSRVMLCGNPQMIEDTRAVLK-ARGMNLSLTRRPGQVAVENYW
2XNJ Chain:A ((22-266))
---------------VQNWTDALFSL-TVHAPVLPFTAGQFTKLGL-EIDGERVQRAYSYVNSPDNPDLEFYLVTVVYTNDAGEVVKGKLSPRLAALKPGDEVQVVSEAAGFFVLDEVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSYLPLMQELEKR-----YEGKLRIQTVVSRETAAGSLTGRIPALIESGELESTIGLPMNKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHY-
General information:
TITO was launched using:
RESULT:
Template:
2XNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -182973 for 1937 contacts (-94.5/contact) +
2D Compatibility (PS) -25326 + (NN) -8355 + (LL) 2348
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -240856.0 ( -124.34 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_2XNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XNJ-query.scw
PDB file :
Tito_Scwrl_2XNJ.pdb
: