Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARF----GLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
1VPL Chain:A ((21-251))
----------LRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYA--SSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERY---------KAQNIEEVFEEVVK------
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) -140739 for 1824 contacts (-77.2/contact) +
2D Compatibility (PS) -24647 + (NN) -9128 + (LL) 2256
1D Compatibility (HY) -18000 + (ID) 4650
Total energy: -194908.0 ( -106.86 by residue)
QMean score : 0.641
(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
: