Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAEN----------SKIAYLPSEDFL-PNMVICDYFRIYHSFFPD---FDQEKAKQMIRSFGIN--IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLKEDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRK-SVMDYYREVFGHA
1VPL Chain:A ((14-251))
---GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEEVFEEVVK--
General information:
TITO was launched using:
RESULT:
Template:
1VPL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174308 for 1833 contacts (-95.1/contact) +
2D Compatibility (PS) -23878 + (NN) -8065 + (LL) 420
1D Compatibility (HY) -16800 + (ID) 3500
Total energy: -226131.0 ( -123.37 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_1VPL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPL-query.scw
PDB file :
Tito_Scwrl_1VPL.pdb
: