Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAKVGSVQQDIPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3WGH Chain:B ((4-206))
----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFGG------GYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRL--------
General information:
TITO was launched using:
RESULT:
Template:
3WGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137213 for 1366 contacts (-100.4/contact) +
2D Compatibility (PS) -21179 + (NN) -5975 + (LL) 1016
1D Compatibility (HY) -17600 + (ID) 3600
Total energy: -184551.0 ( -135.10 by residue)
QMean score : 0.621
(partial model without unconserved sides chains):
PDB file :
Tito_3WGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WGH-query.scw
PDB file :
Tito_Scwrl_3WGH.pdb
: