Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVTKLAPDFKAPAVLG----NNEVDEHFELSKNLGKNGVILFFWPK-DFTFVCPTEIIAFDKRVKDFHEKGFNVIGVSIDSEQVHFAWKNTPVEKGGIGQVSFPMVADITKSISRDYDVLFEEAIALRGAFLIDKNMKVRHAVINDLPLGRNADEMLRMVDALLHFEEHGEVCPAGWRKGDKGMKATHQGVAEYLKENSIKL
2I81 Chain:A ((3-193))
TYVGKEAPFFKAEAVFGDNSFG-----EVNLTQFIGKKYVLLYFY-PLDFTFVCPSEIIALDKALDAFHERNVELLGCSVDSKYTHLAWKKTPLAKGGIGNIKHTLLSDITKSISKDYNVLFDDSVSLRAFVLIDMNGIVQHLLVNNLAIGRSVDEILRIIDAIQHHEKYGDVCPANWQKGKVSMKPSEEGVAQYLST-----
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) -112986 for 1384 contacts (-81.6/contact) +
2D Compatibility (PS) -19474 + (NN) -430 + (LL) 368
1D Compatibility (HY) -22400 + (ID) 4700
Total energy: -159622.0 ( -115.33 by residue)
QMean score : 0.482
(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
: