Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYL--HASVEHQIARTARDRNRPLLQKPNPGQILRDLMAL---RDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
3VAA Chain:A ((25-196))
MVRIFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIAK-QQRPILQGKEDDELMDFIIQALEKRAPFYTQ-AQYIFNADELEDRWQIESSVQRLQEL---
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) -71650 for 1272 contacts (-56.3/contact) +
2D Compatibility (PS) -18726 + (NN) -11733 + (LL) -52
1D Compatibility (HY) -13600 + (ID) 2950
Total energy: -118711.0 ( -93.33 by residue)
QMean score : 0.469
(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
: