Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLFQEKIAYNCAKKEALYKESLGRYALRSMLAGAYLTMSTAAGIVAADTIGKI-----SPALSGFVFAFIFSFGLIYVLIFNGELATSNMLYLTAGAYNKNISWKKAITILIYCTFFNLVGACILAWLFNQSYSFQHLTNDSFLGHVVAKKLGKPSSGAFLEGIIANMFVNLAILAYMLLKEESAKMTVILSAIFMFVFLSNEHLIANFASFMLAAFSHIEHIKGFTLLNVIRQWTLVFFGNWIGGGVFIGLAYAWLNKTKTSHHE
3TDP Chain:A ((8-257))
-----DKLTNAAINKINLLNTSKVKYLVSSAFAGLYVGI----GILLIFTIGGLLTDAGSP-MTKIVMGLSFAIALSLVIMTGTELFTGNNMVMSAGMLNKGVSIKDTSKIWAYSWVGNLIGALVLGIIFVGTGLVDKGPVAEFFANTAASKASMPFTALFFRGILCNILVCVSVLCSFRTNSDTAKIIMIFLCLFAFITSGFEHSVANMTIYSVSLFS--PTISTVTIGGAIYNLVAVTLGNIVGGALFMGLGTYILGKEK-----
General information:
TITO was launched using:
RESULT:
Template:
3TDP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -239207 for 2216 contacts (-107.9/contact) +
2D Compatibility (PS) -26191 + (NN) -13830 + (LL) 1528
1D Compatibility (HY) -22400 + (ID) 3650
Total energy: -303750.0 ( -137.07 by residue)
QMean score : 0.328
(partial model without unconserved sides chains):
PDB file :
Tito_3TDP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TDP-query.scw
PDB file :
Tito_Scwrl_3TDP.pdb
: