Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSK-FNSDINLVILDIQIPFINGLEVLKEIR-KKSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLIKKNFGHLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQLDCITTIRNVGYKLERK
3A0U Chain:A ((3-115))
-RILVVDDEPNIRELLKEELQEEGYEIDTAENGEEALKKFFSGNYDLVILDIEMPGISGLEVAGEIRKKKKDAKIILLTAYS--HYRSDLSSWAADEYVVKSFNFDELKEKVKKLL-------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3A0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84438 for 863 contacts (-97.8/contact) +
2D Compatibility (PS) -12128 + (NN) -6370 + (LL) 8136
1D Compatibility (HY) -9200 + (ID) 2550
Total energy: -106550.0 ( -123.46 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_3A0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A0U-query.scw
PDB file :
Tito_Scwrl_3A0U.pdb
: