Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVLTIEHLTKKIGNKTILEDVSFKLKRGQIVGLVGANGAGKTTLMKVILGYSSFQSGNFNVINSK------DSKSNIGALIENPGIYPFMSGYENLKLLNESKN------TQDIDKIVSQLHMDEYIHKKAKTYSLGMKQKLGIAIAFLNEPQFIILDEPMNGLDPKAVRDVRELIVQKSQEGVTFLISSHILSELVKITNSILIINKGKIVTETSEEELKQFK-DNDLENVLLEIIEREDQA
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) -145629 for 1879 contacts (-77.5/contact) +
2D Compatibility (PS) -24291 + (NN) -11746 + (LL) 600
1D Compatibility (HY) -16000 + (ID) 4100
Total energy: -201166.0 ( -107.06 by residue)
QMean score : 0.583
(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
: