Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVEQKDKYRPCVGIMLFNKQGHVFIGKRFDSDSYWQMPQGGIDDGEKLEQAALRELLEEVGTDK--AKIIAKNKDWIYYNLPEEVI-PTCWNGRYSGQKQRWFLMKFYGEGKDININYTDHPEFKEWRWQSVDNLVAGAIPFKKEVYKTVIEEFSSQIKVSIIK
4S2W Chain:A ((6-156))
-----DGYRPNVGIVICNRQGQVMWARRFGQHS-WQFPQGGINPGESAEQAMYRELFEEVGLSRKDVRILASTRNWLRYKLPKRLVKPVC-----IGQKQKWFLLQLVSGDAEINMQTSSTPEFDGWRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVMSLAA-
General information:
TITO was launched using:
RESULT:
Template:
4S2W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64291 for 1032 contacts (-62.3/contact) +
2D Compatibility (PS) -15582 + (NN) -7062 + (LL) 940
1D Compatibility (HY) -16800 + (ID) 3300
Total energy: -106095.0 ( -102.81 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_4S2W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2W-query.scw
PDB file :
Tito_Scwrl_4S2W.pdb
: