Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADK-----PL-TYWRKKIAYVPQRSEVDLTFPITVFD--MVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNK-KLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
4QC2 Chain:B ((7-234))
---KNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQ--EASIFRRLSVYDNLMAVLQIRDDLSAEQREDR-----ANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVY-----------
General information:
TITO was launched using:
RESULT:
Template:
4QC2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141511 for 1640 contacts (-86.3/contact) +
2D Compatibility (PS) -23900 + (NN) -10823 + (LL) 1648
1D Compatibility (HY) -14400 + (ID) 3650
Total energy: -192636.0 ( -117.46 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_4QC2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QC2-query.scw
PDB file :
Tito_Scwrl_4QC2.pdb
: