Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMS-GLHKEAAGETLSPEEK--RLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF
3W77 Chain:A ((2-208))
-ATVLFVKANNRPAEQAVSVKLYEAFLANYKEAHPNDTVVELDLYKEELPYVGVDMINGTFK--AGK-GFDLTEEEAKAVAVADKYLNQFLEADKVVFGFPLWNLTIPAVLHTYIDYLNRAGKTFKYTPEGPVGLIGDKKIALLNARGGVYSEGPAAEVEMAVKYVASMMGFFGATNMETVIIEGHNQFPDKAEEIIAAGLEEAAKVASKF
General information:
TITO was launched using:
RESULT:
Template:
3W77.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141543 for 1562 contacts (-90.6/contact) +
2D Compatibility (PS) -22306 + (NN) -14210 + (LL) 480
1D Compatibility (HY) -22400 + (ID) 5500
Total energy: -205479.0 ( -131.55 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_3W77.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W77-query.scw
PDB file :
Tito_Scwrl_3W77.pdb
: