Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLFQEKIAYNCAKKEALYKESLGRYALRSMLAGAYLTMSTAAGIVAADTIGKISPALSGFVFAFIFSFGLIYVLIFNGELATSNMLYLTAGAYNKNISWKKAITILIYCTFFNLVGACILAWLFNQSYSFQHLTNDSFLG----HVVAKKLGKPSSGAFLEGIIANMFVNLAILAYMLLKEESAKMTVILSAIFMFVFLSNEHLIANF--------------ASFMLAAFSHIEHIKGFTLLN-VIRQWTLVFFGNWIGGGVFIGLAYAWLNKTKTSHHE
3KLY Chain:B ((74-275))
------------------------------------------------------------------FSLGLILVVITGGELFTSSVLILVAKASGK-ISWKELVRNWTVVYFGNLCGSIILVFIMLATRQF--MEDGGQLGLNAMAISQHKLHHTFLQAFALGLMCNILVCLAVWMTFSARSLTDKVMVLILPVAMFVSSGFEHCIANMFQVPMAIGIKYFAPESFWAMTGANIAQYADLNFVNFIVNNLIPVTLGNIVGGGVFVGMWY-WLIYL------
General information:
TITO was launched using:
RESULT:
Template:
3KLY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116870 for 1232 contacts (-94.9/contact) +
2D Compatibility (PS) -18843 + (NN) -6714 + (LL) 6076
1D Compatibility (HY) -22400 + (ID) 3250
Total energy: -162001.0 ( -131.49 by residue)
QMean score : 0.151
(partial model without unconserved sides chains):
PDB file :
Tito_3KLY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KLY-query.scw
PDB file :
Tito_Scwrl_3KLY.pdb
: