Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIQGLTIAYK-QKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKL-RDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
2NQ2 Chain:C ((5-221))
LSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEV--------YQSIGFVPQF--FSSPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSENL---------------
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) -174994 for 1675 contacts (-104.5/contact) +
2D Compatibility (PS) -23703 + (NN) -13054 + (LL) 1564
1D Compatibility (HY) -22400 + (ID) 3200
Total energy: -235787.0 ( -140.77 by residue)
QMean score : 0.528
(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
: