Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEY-SELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDI-DFIHALYKRLFRPIPSLRESAKLELEEHAN-NPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
3I3A Chain:B ((2-256))
--KIHPTAIIDPKAELHESVEVGPYSIIEGNVSIQEGTIIEGHVKICAGSEIGKFNRFHQGAVIGVMPQDLGFNQQLLTKTVIGDHNIFREYSNIHKGTKED-SPTVIGNKNYFMGNSHVGHDCILGNNNILTHGAVLAGHVTLGNFAFISGLVAVHQFCFVGDYSMVAGLAKVVQDVPPYSTVDGNPSTVVGLNSVGMKRAGFSPEVRNAIKHAYKVIYHSGISTRKALD-ELEASGNLIEQVKYIIKFFRDSDRGVTNH------------
General information:
TITO was launched using:
RESULT:
Template:
3I3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -224653 for 2147 contacts (-104.6/contact) +
2D Compatibility (PS) -27596 + (NN) -9659 + (LL) 1192
1D Compatibility (HY) -18000 + (ID) 4800
Total energy: -283516.0 ( -132.05 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_3I3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I3A-query.scw
PDB file :
Tito_Scwrl_3I3A.pdb
: