Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLK----GLGTTFYLKMDFETLIKRLNQKEREKRPLLNN------LTQAKELFEKRQALYEKNASFIIDARGG-LNNSLKQVLQFIA
3VAA Chain:A ((25-192))
MVRIFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAE-FENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIA-KQQRPILQGKEDDELMDFIIQALEKRAPFYT-QAQYIFNADELEDRWQIESSVQRLQ
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) -76580 for 1181 contacts (-64.8/contact) +
2D Compatibility (PS) -17265 + (NN) -10782 + (LL) 344
1D Compatibility (HY) -12400 + (ID) 2350
Total energy: -119033.0 ( -100.79 by residue)
QMean score : 0.685
(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
: