Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFADNIKISYMP----------QNFSISKLMPITVE-YFLLNSFSKKLKKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICINHTIYCQ-GKPGKIMEDRTLGEIFSSYIAK
2IT1 Chain:A ((4-221))
-----------------------IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYF-DEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNP
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -179419 for 1575 contacts (-113.9/contact) +
2D Compatibility (PS) -22297 + (NN) -9884 + (LL) 1500
1D Compatibility (HY) -12400 + (ID) 2900
Total energy: -225400.0 ( -143.11 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: