Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTK-AVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLK-GDTTRPLVQQKTAEEIRAI----FEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
3VAA Chain:A ((34-178))
MGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIAKQQRPILQGKEDDELMDFIIQALEKRAPFYT-QAQYIFNAD-----------------
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) -28004 for 951 contacts (-29.4/contact) +
2D Compatibility (PS) -15266 + (NN) -9205 + (LL) 1520
1D Compatibility (HY) -11200 + (ID) 2550
Total energy: -64705.0 ( -68.04 by residue)
QMean score : 0.522
(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
: