Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTI-----NLAENSK-----IAYLPSE-DFLPNMVICDYFRIYHSFFPDFDQEKAKQMIRS-----FGINIKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLKEDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYR-KSVMDYYREVFGHA
1VPL Chain:A ((16-249))
-----VVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEEVFEEV----
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) -158358 for 1720 contacts (-92.1/contact) +
2D Compatibility (PS) -23171 + (NN) -5920 + (LL) 476
1D Compatibility (HY) -18400 + (ID) 3650
Total energy: -209023.0 ( -121.52 by residue)
QMean score : 0.588
(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
: