Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGI-VMHENLKGL---GTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKE----------LFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
3VAA Chain:C ((25-177))
MVRIFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENV-VISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRL-R-------IL----QGKEDDELMDFIIQALEKRAPFYTQ-AQYIFNADELEDRWQIESSVQRL
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) -74488 for 978 contacts (-76.2/contact) +
2D Compatibility (PS) -13976 + (NN) -4223 + (LL) 348
1D Compatibility (HY) -15200 + (ID) 2400
Total energy: -109939.0 ( -112.41 by residue)
QMean score : 0.600
(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
: