Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLIFLIVIALVLSACNSNSSHAKELNDLEKKYNAHIGVYALDTKSGKEVKFNSDKRFAYASTSKAINSAILLEQVPYNKLNKKVHINKDDIVAYSPILEKYVGKDITLKELIEASMTYSDNTANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLIANGKLSKKNKNFLLDLMFNNKNGDTLIKDGVPKDYKVADKSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEF
1PIO Chain:A ((31-290))
------------------------KELNDLEKKYNAHIGVYALDTKSGKEVKFNSDKRFAYASTSKAINSAILLEQVPYNKLNKKVHINKDDIVAYSPILEKYVGKDITLKALIEASMTYSDNTANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVADKSGQS-TYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEF
General information:
TITO was launched using:
RESULT:
Template:
1PIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41144 for 2289 contacts (-18.0/contact) +
2D Compatibility (PS) -27429 + (NN) -11207 + (LL) 2632
1D Compatibility (HY) -31600 + (ID) 12500
Total energy: -121248.0 ( -52.97 by residue)
QMean score : 0.817
(partial model without unconserved sides chains):
PDB file :
Tito_1PIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PIO-query.scw
PDB file :
Tito_Scwrl_1PIO.pdb
: