Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNLIEVRDLSKTFTLHQQQGVVLNVLRGLNFNVAGGECLVLHGRSGAGKSTLLRTLYGNYLPAGGSIRLRHAGDWLELVGAEPREVLAVRRQTLGYVSQFLRVIPRVATL-DVVMEPALARGWSRDSAELRARSLLARLNIPERLWQLAPGTFSGGEQQRVNIARGFMVEWPILLLDEPTASLDEANRQVVLELIGEAKAAGAALIGIFHDRAAREAVASRYLDMSQELSRQEQAHVV
4YMS Chain:J ((1-210))
---MIFVNDVYKNFG-------SLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFI----DGVKINNGKVN--INKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQY-PIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMD------------
General information:
TITO was launched using:
RESULT:
Template:
4YMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137877 for 1684 contacts (-81.9/contact) +
2D Compatibility (PS) -22061 + (NN) -6066 + (LL) 2592
1D Compatibility (HY) -17200 + (ID) 3150
Total energy: -183762.0 ( -109.12 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_4YMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMS-query.scw
PDB file :
Tito_Scwrl_4YMS.pdb
: