Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTIL-KNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
2NQ2 Chain:C ((5-226))
--LSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLL----------LGIHRPIQGKI-----EVYQSIGFVPQFFSSPF--AYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQS-QNMTVVFTTHQPNQVVAIANKTLLL-NKQNFKFGETRNILTSENLTALFH------------------
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) -173367 for 1734 contacts (-100.0/contact) +
2D Compatibility (PS) -23867 + (NN) -7911 + (LL) 2700
1D Compatibility (HY) -19200 + (ID) 3200
Total energy: -224845.0 ( -129.67 by residue)
QMean score : 0.424
(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
: