Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKI-----AYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQ------HAEIFFLDEPFAGIDMTSEALIMRLLKKL-RDNGKTIVVVHHDFHKVAAYFDDIILLNK-KLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
4G1U Chain:C ((12-245))
LEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSE--LAFPFSVSEVIQMGRAP------YGGSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWY-----------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168176 for 1701 contacts (-98.9/contact) +
2D Compatibility (PS) -23936 + (NN) -11610 + (LL) 1240
1D Compatibility (HY) -16400 + (ID) 4100
Total energy: -222982.0 ( -131.09 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: