Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSI---TGGENRKLM---IEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNK-QKIIELFLALKKQGKTIVCVTHDP-EISAKADRIIYIEGGEIR
3PUW Chain:B ((4-222))
-VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPA----ERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRV-
General information:
TITO was launched using:
RESULT:
Template:
3PUW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89449 for 1546 contacts (-57.9/contact) +
2D Compatibility (PS) -21850 + (NN) -9447 + (LL) 808
1D Compatibility (HY) -16400 + (ID) 3500
Total energy: -139838.0 ( -90.45 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_3PUW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUW-query.scw
PDB file :
Tito_Scwrl_3PUW.pdb
: