Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAEN---------SKIAYLPSEDFL-PNMVICDYFRIYHSFFPDFDQEKAKQMIRSFGIN--IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLK-EDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRKSVMDYYREVFGHA
3D31 Chain:A ((1-220))
----MIEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPV--------------
General information:
TITO was launched using:
RESULT:
Template:
3D31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155710 for 1640 contacts (-94.9/contact) +
2D Compatibility (PS) -21988 + (NN) -5680 + (LL) 1340
1D Compatibility (HY) -10400 + (ID) 2900
Total energy: -195338.0 ( -119.11 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3D31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D31-query.scw
PDB file :
Tito_Scwrl_3D31.pdb
: