Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVEQKDKYRPCVGIMLFNKQGHVFIGKRFDSDSYWQMPQGGIDDGEKLEQAALRELLEEVGTDK--AKIIAKNKDWIYYNLPEEVI-PTCWNGRYSGQKQRWFLMKFYGEGKDININYTDHPEFKEWRWQSVDNLVAGAIPFKKEVYKTVIEEFSSQIKVSIIK
4S2Y Chain:A ((6-156))
-----DGYRPNVGIVICNRQGQVMWARRFGQHS-WQFPQGGINPGESAEQAMYRELFEEVGLSRKDVRILASTRNWLRYKLPKRLVR-VC-----IGQKQKWFLLQLVSGDAEINMQTSSTPEFDGWRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVMSLAA-
General information:
TITO was launched using:
RESULT:
Template:
4S2Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64840 for 1030 contacts (-63.0/contact) +
2D Compatibility (PS) -15317 + (NN) -6103 + (LL) 800
1D Compatibility (HY) -16800 + (ID) 3250
Total energy: -105510.0 ( -102.44 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_4S2Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2Y-query.scw
PDB file :
Tito_Scwrl_4S2Y.pdb
: