Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEY-SELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDI-DFIHALYKRLFRPIPSLRESAKLELEEHAN-NPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
3I3X Chain:B ((2-256))
--KIHPTAIIDPKAELHESVEVGPYSIIEGNVSIQEGTIIEGHVKICAGSEIGKFNRFHQGAVIGVMPQDLGFNQQLLTKTVIGDHNIFREYSNIHKGTKED-SPTVIGNKNYFMGNSHVGHDCILGNNNILTHGAVLAGHVTLGNFAFISGLVAVHQFCFVGDYSMVAGLAKVVQDVPPYSTVDGNPSTVVGLNSVGMKRAGFSPEVRNAIKHAYKVIYHSGISTRKALD-ELEASGNLIEQVKYIIKFFRDSDRGVTNHR-----------
General information:
TITO was launched using:
RESULT:
Template:
3I3X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -233713 for 2166 contacts (-107.9/contact) +
2D Compatibility (PS) -27407 + (NN) -7426 + (LL) 1072
1D Compatibility (HY) -18000 + (ID) 4800
Total energy: -290274.0 ( -134.01 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_3I3X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I3X-query.scw
PDB file :
Tito_Scwrl_3I3X.pdb
: