Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDR-NRPLLQK---PNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
3VAA Chain:A ((25-194))
MVRIFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIAKQQRPILQGKEDDELMDFIIQALEKRAPFYTQ-AQYIFNADELEDRWQIESSVQRLQ-----
General information:
TITO was launched using:
RESULT:
Template:
3VAA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70089 for 1296 contacts (-54.1/contact) +
2D Compatibility (PS) -18404 + (NN) -6541 + (LL) 264
1D Compatibility (HY) -12400 + (ID) 2750
Total energy: -109920.0 ( -84.81 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_3VAA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VAA-query.scw
PDB file :
Tito_Scwrl_3VAA.pdb
: