Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYD-NKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFADNIKISYMPQNFSISKLMPITVEYFLLNSFSKK-------LKKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICINHTIYCQGKPGKIMEDRTLGEIFSSYIAK
2NQ2 Chain:C ((2-221))
--------------------NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEV--YQSIGFVPQFFS--SPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSENLTALFHLPMFE
General information:
TITO was launched using:
RESULT:
Template:
2NQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -214062 for 1696 contacts (-126.2/contact) +
2D Compatibility (PS) -23412 + (NN) -12739 + (LL) 1512
1D Compatibility (HY) -19600 + (ID) 2750
Total energy: -271051.0 ( -159.82 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_2NQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NQ2-query.scw
PDB file :
Tito_Scwrl_2NQ2.pdb
: