Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRM-RQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANN-PFVKEICSFILESSRGVAYKSSEYSSEEKQEE
2AQ9 Chain:A ((11-260))
------TAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDE-VKPEIAELAETYPEVKAFTDFFARSTRGLIR-------------
General information:
TITO was launched using:
RESULT:
Template:
2AQ9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -236883 for 2176 contacts (-108.9/contact) +
2D Compatibility (PS) -27192 + (NN) -9716 + (LL) 1404
1D Compatibility (HY) -16000 + (ID) 5300
Total energy: -293687.0 ( -134.97 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_2AQ9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQ9-query.scw
PDB file :
Tito_Scwrl_2AQ9.pdb
: