Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVL-DGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFADNIKISYMPQNFSISKLMPITVEYFLL------NSFSKKLKKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICINHTIYCQGKPGKIMEDRTLGEIFSSYIAK
2NQ2 Chain:C ((2-225))
--------------------NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEVYQSI--GFVPQFFS-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) -213047 for 1690 contacts (-126.1/contact) +
2D Compatibility (PS) -23739 + (NN) -11017 + (LL) 1740
1D Compatibility (HY) -21600 + (ID) 2950
Total energy: -270613.0 ( -160.13 by residue)
QMean score : 0.511
(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
: