Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSETFTKGMARNIYFGGSVFFILLFLALTYHTEKTLPERTNEAAMSAAVVRGKLVWE---QNNCVGCHTLLGEGAYFAPELGNVVGRRGGEEGFNTFLQAWMNIQPLNVPGRRAMPQF-HLSEGQVDDLAEFLKWSSKIDTNQWPPNKEG
4PWA Chain:A ((3-88))
---------------------------------------------EDKLALGREIFLERSEPQCALCHTLADAEAV-GEVGPNLDELKPDAERVNTAVTN----------GIGPMPANEILTDEEIEAVALYVSTVAGKAKN--------
General information:
TITO was launched using:
RESULT:
Template:
4PWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20618 for 589 contacts (-35.0/contact) +
2D Compatibility (PS) -8746 + (NN) -4274 + (LL) 4412
1D Compatibility (HY) -2400 + (ID) 850
Total energy: -32476.0 ( -55.14 by residue)
QMean score : 0.349
(partial model without unconserved sides chains):
PDB file :
Tito_4PWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PWA-query.scw
PDB file :
Tito_Scwrl_4PWA.pdb
: