Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSI----------GVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDI---LTSENMSRFFQKNVAVQRWNNRFSMAMLE
1VPL Chain:A ((28-250))
--------------KEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGK---NVVEEPHEVRKLISYLPEE----------------AGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQE--GLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEEVFEEVV---------------
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) -133859 for 1615 contacts (-82.9/contact) +
2D Compatibility (PS) -22701 + (NN) -8882 + (LL) 4540
1D Compatibility (HY) -17600 + (ID) 3300
Total energy: -181802.0 ( -112.57 by residue)
QMean score : 0.474
(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
: