Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVTLNTPKVDFNFTAKNFNLLGVDN----KYYTLSDCCGKNGFIVMFIC-NHCPYVQSIISNLISDVDLLKKDYQVNTIAIMPNDVNEYPEDSFENMINFAKE-------NKFTFPYLIDSKQEVAKEYGA-----VCTPDFFGFNANLNLCYRGRFNDAKKEKIQNYEIGSSNLFQAMKFIAETGNSPINQKSSIGCSIKWSNSTG
2I81 Chain:A ((2-176))
-------PTYVGKEAPFFKAEAVFGDNSFGEVNLTQFIGKKYVLLYFYPLDFTFVCPSEIIALDKALDAFHE-RNVELLGCSVDS--------KYTHLAWKKTPLAKGGIGNIKHTLLSDITKSISKDYNVLFDDSVSLRAFVLIDMNGIVQHLLVNNLAIG-------RSVDEILRIIDAIQHHEKYG------DVCPANWQKGKV
General information:
TITO was launched using:
RESULT:
Template:
2I81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134910 for 1164 contacts (-115.9/contact) +
2D Compatibility (PS) -17193 + (NN) -6859 + (LL) 1412
1D Compatibility (HY) -6000 + (ID) 1250
Total energy: -164800.0 ( -141.58 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_2I81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I81-query.scw
PDB file :
Tito_Scwrl_2I81.pdb
: