Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVEVEHLTGGYTKRPVLKDISFAIEEKQIVGLIGLNGAGKSTTIKHITGLMHPKQGTIKINNHQLVEDTETYRKQFSYIPETPVLYEELTLKEHLELTGMAYGISEEELHARMTPLLKEFRLEKKLNWFPAHFSKGMKQKVMIMSAFLIEPKLYIIDEPFVGLDPLGIQSLLNWMDEMRSKGASILMSTHILATAEKYCDTFIIIHQGEIRAEGTLKDLQTNFEMPGASLDEIYIQLTKEEEADEDDI
1VPL Chain:A ((14-251))
-GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYK--AQNIEEVFEEVVK---------
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) -175019 for 1994 contacts (-87.8/contact) +
2D Compatibility (PS) -25428 + (NN) -6725 + (LL) 812
1D Compatibility (HY) -18000 + (ID) 3900
Total energy: -228260.0 ( -114.47 by residue)
QMean score : 0.561
(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
: