Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTSNQKAILAGGCFWGLQDLIRNQPGVVSTRVGYSGGNIPNATYRNHGTHAEAVEIIFDPTVTDYRTLLEFFFQIHDPTTKDRQGNDRGTSYRSAIFYFDEQQKRIALDTIADVEASGLWPGKVVTEVSPAGDFWEAEPEHQDYLQRYPNGYTCHFVRPGWRLPRRTAESALRASLSPELGT
1NWA Chain:A ((1-166))
MTSNQKAILAGGCFWGLQDLIRNQPGVVSTRVGYSGGNIPNATYRNHGTHAEAVEIIFDPTVTDYRTLLEFFFQIHDPTTKDRQGNDRGTSYRSAIFYFDEQQKRIALDTIADVEASGLWPGKVVTEVSPAGDFWEAEPEHQDYLQRYPNGYTCHFVRPGWRLPRR----------------
General information:
TITO was launched using:
RESULT:
Template:
1NWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72806 for 1310 contacts (-55.6/contact) +
2D Compatibility (PS) -18316 + (NN) -16277 + (LL) 976
1D Compatibility (HY) -20800 + (ID) 8300
Total energy: -135523.0 ( -103.45 by residue)
QMean score : 0.874
(partial model without unconserved sides chains):
PDB file :
Tito_1NWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NWA-query.scw
PDB file :
Tito_Scwrl_1NWA.pdb
: