Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFFRMLKEDIDTVFDQDPAARSYFEVILTYSGLHAIWAHRIAHALYKRKFYFLARLISQVSRFFTGIEIHPGATIGRRFFIDHGMGVVIGETCEIGNNVTVFQGVTL--------GGTGKEKGKRHPTIKDDALIATGAKVLGSITVGEGSKIGAGSVVLHDVPDFSTVVGIPGRVVVQNGKKVRRDLNHQDLPDPVADRFKSLEQQILELKAELEDRKERINQK
3P47 Chain:A ((103-268))
---RTLKTDLIAAYAGDPAAPGLSLIIRCYPGFQAVIVYRIAHVLYECGERYYCREMMESVHSYTSIDIHPGASIKGHFFIDHGVGVVIGETAIIGEWCRIYQSVTLGAMHFQEEGGVIKRGTKRHPTVGDYVTIGTGAKVLGNIIVGSHVRIGANCWIDRDVDSNQTV--------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3P47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123341 for 1240 contacts (-99.5/contact) +
2D Compatibility (PS) -17239 + (NN) -6299 + (LL) 4276
1D Compatibility (HY) -12400 + (ID) 3650
Total energy: -158653.0 ( -127.95 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3P47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3P47-query.scw
PDB file :
Tito_Scwrl_3P47.pdb
: