Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKIIEVNNVSYHYDK-EHALENIHFQVAKGSFTGLIGPNGSGKSTMLKLILGVLKKQQGSISLFGEKQADFKDWVKIGFVSQKSNAFNSAFPATVKEVVASGLTKKKGLFKTLNNKDKEDIDYALKRVEMTDYLHRNIGELSGGQQQRVFIARALVSRPELLILDEPTVGVDVENVKAFYELLAELNRTEEMTLLLVTHDLMAVNTYVNHVISINKRIIFDGSAHEYQHYLADRELEILAEQRRREDACLDCDASPV
2NQ2 Chain:C ((2-219))
-NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEVY----------QSIGFVPQFFSSP---FAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSE--------------------------
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) -160331 for 1707 contacts (-93.9/contact) +
2D Compatibility (PS) -23511 + (NN) -9789 + (LL) 2780
1D Compatibility (HY) -15200 + (ID) 3350
Total energy: -209401.0 ( -122.67 by residue)
QMean score : 0.493
(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
: